2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene

C22H38 — CID 58552522

IUPAC2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESC1CCC(CCC2C3CCCC3CC2C2CCCCC2)CC1
InChIInChI=1S/C22H38/c1-3-8-17(9-4-1)14-15-21-20-13-7-12-19(20)16-22(21)18-10-5-2-6-11-18/h17-22H,1-16H2
InChIKeyDWAJLUWZORBLIF-UHFFFAOYSA-N
MW302.55 g/mol
LogP6.98
Rot. Bonds4

About 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene

2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 58552522) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID58552522
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESC1CCC(CCC2C3CCCC3CC2C2CCCCC2)CC1
InChIInChI=1S/C22H38/c1-3-8-17(9-4-1)14-15-21-20-13-7-12-19(20)16-22(21)18-10-5-2-6-11-18/h17-22H,1-16H2
InChIKeyDWAJLUWZORBLIF-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene with MolForge

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Related Compounds

2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321
5-(2-cyclohexylethyl)bicyclo[2.1.0]pentane
CID 91187564
2-cyclohexyl-3-(2-cyclohexylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552713
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
CID 171097692
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
3-cyclobutylpropylcyclohexane
CID 54165208
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene;1-(cyclohexylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 158442689

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 58552522) is 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene is C1CCC(CCC2C3CCCC3CC2C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is DWAJLUWZORBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-3-8-17(9-4-1)14-15-21-20-13-7-12-19(20)16-22(21)18-10-5-2-6-11-18/h17-22H,1-16H2.
What are the key properties of 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene?
2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 302.55 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 58552522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).