
 2-cyclohexylpropanal

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.8126   -0.8604   -0.7475 C   0  0  0  0  0
    2.6710    0.0660    0.1160 C   0  0  0  0  0
    4.0941   -0.4617    0.2141 C   0  0  0  0  0
    4.5351   -1.4049   -0.4363 O   0  0  0  0  0
    2.6162    1.5364   -0.3678 C   0  0  0  0  0
    3.2176    1.7486   -1.7694 C   0  0  0  0  0
    3.1152    3.2079   -2.2135 C   0  0  0  0  0
    3.7433    4.1559   -1.1982 C   0  0  0  0  0
    3.1518    3.9557    0.1928 C   0  0  0  0  0
    3.2644    2.5008    0.6445 C   0  0  0  0  0
    0.7881   -0.4834   -0.8297 H   0  0  0  0  0
    1.7659   -1.8616   -0.3043 H   0  0  0  0  0
    2.2197   -0.9760   -1.7572 H   0  0  0  0  0
    2.2658    0.0232    1.1356 H   0  0  0  0  0
    4.7395    0.0470    0.9495 H   0  0  0  0  0
    1.5525    1.8107   -0.4265 H   0  0  0  0  0
    2.6995    1.1269   -2.5074 H   0  0  0  0  0
    4.2719    1.4461   -1.7789 H   0  0  0  0  0
    3.6061    3.3314   -3.1855 H   0  0  0  0  0
    2.0597    3.4717   -2.3541 H   0  0  0  0  0
    4.8266    3.9872   -1.1627 H   0  0  0  0  0
    3.5916    5.1928   -1.5180 H   0  0  0  0  0
    3.6685    4.6042    0.9093 H   0  0  0  0  0
    2.0973    4.2579    0.1909 H   0  0  0  0  0
    4.3258    2.2612    0.7772 H   0  0  0  0  0
    2.7858    2.3907    1.6248 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  5  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
M  END

>  <Chemical Name>
2-cyclohexylpropanal

>  <PubChem CID>
95560

>  <Formula>
C9H16O

>  <Molecular Weight>
140.226000

>  <IUPAC Name>
2-cyclohexylpropanal

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C=O)C1CCCCC1

>  <Isomeric SMILES>
CC(C=O)C1CCCCC1

>  <InChI Std. ID>
InChI=1S/C9H16O/c1-8(7-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3

>  <InChI Key>
UQURIQWAEZGLAC-UHFFFAOYSA-N

