5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene

C17H30 — CID 59124996

IUPAC5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
SMILESC1CCC(C2CCCCC3CCCCC32)CC1
InChIInChI=1S/C17H30/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h14-17H,1-13H2
InChIKeyDLDQSDNJMMOIBX-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.56
Rot. Bonds1

About 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene

5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene (PubChem CID 59124996) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene.

Molecular Properties

Compound Name5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
PubChem CID59124996
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
SMILESC1CCC(C2CCCCC3CCCCC32)CC1
InChIInChI=1S/C17H30/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h14-17H,1-13H2
InChIKeyDLDQSDNJMMOIBX-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene with MolForge

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Related Compounds

1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
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CID 54374966
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
CID 143043370
CID 143043370
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-cyclohexylcycloheptan-1-amine
CID 62603079
1-chloro-2-cyclopentylcycloheptane
CID 63511633
2-cyclooctylcyclohexan-1-ol
CID 22359607
cyclohexylcycloheptane
CID 524589
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclononylcycloicosane
CID 123187062

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
The IUPAC name of 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene (CID 59124996) is 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene.
What is the SMILES notation for 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
The canonical SMILES for 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene is C1CCC(C2CCCCC3CCCCC32)CC1.
What is the InChIKey of 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
The InChIKey is DLDQSDNJMMOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h14-17H,1-13H2.
What are the key properties of 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene?
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene has a molecular weight of 234.43 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene is sourced from PubChem (CID 59124996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).