1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane

C26H42 — CID 163516352

IUPAC1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane
SMILESC=C=CC1CCC(C2CCC(C3CCC(C4CCCC4)CC3)CC2)CC1
InChIInChI=1S/C26H42/c1-2-5-20-8-10-22(11-9-20)24-16-18-26(19-17-24)25-14-12-23(13-15-25)21-6-3-4-7-21/h5,20-26H,1,3-4,6-19H2
InChIKeyDHCHWLFHDPKTON-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.94
Rot. Bonds4

About 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane

1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane (PubChem CID 163516352) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane
PubChem CID163516352
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane
SMILESC=C=CC1CCC(C2CCC(C3CCC(C4CCCC4)CC3)CC2)CC1
InChIInChI=1S/C26H42/c1-2-5-20-8-10-22(11-9-20)24-16-18-26(19-17-24)25-14-12-23(13-15-25)21-6-3-4-7-21/h5,20-26H,1,3-4,6-19H2
InChIKeyDHCHWLFHDPKTON-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane?
The IUPAC name of 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane (CID 163516352) is 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane is C=C=CC1CCC(C2CCC(C3CCC(C4CCCC4)CC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane?
The InChIKey is DHCHWLFHDPKTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-2-5-20-8-10-22(11-9-20)24-16-18-26(19-17-24)25-14-12-23(13-15-25)21-6-3-4-7-21/h5,20-26H,1,3-4,6-19H2.
What are the key properties of 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane?
1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane has a molecular weight of 354.62 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane is sourced from PubChem (CID 163516352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).