1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene

C29H44 — CID 22131658

IUPAC1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene
SMILESC=C(CC)CCc1ccc(C2CC=C(CCC3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C29H44/c1-4-6-24-9-11-26(12-10-24)13-14-27-17-21-29(22-18-27)28-19-15-25(16-20-28)8-7-23(3)5-2/h15-17,19-20,24,26,29H,3-14,18,21-22H2,1-2H3
InChIKeyWOWXPRKOPSCVCS-UHFFFAOYSA-N
MW392.67 g/mol
LogP9.17
Rot. Bonds10

About 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene

1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene (PubChem CID 22131658) has the molecular formula C29H44 and a molecular weight of 392.67 g/mol. Its IUPAC name is 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene.

Molecular Properties

Compound Name1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene
PubChem CID22131658
Molecular FormulaC29H44
Molecular Weight392.67 g/mol
Exact Mass392.34
IUPAC Name1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene
SMILESC=C(CC)CCc1ccc(C2CC=C(CCC3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C29H44/c1-4-6-24-9-11-26(12-10-24)13-14-27-17-21-29(22-18-27)28-19-15-25(16-20-28)8-7-23(3)5-2/h15-17,19-20,24,26,29H,3-14,18,21-22H2,1-2H3
InChIKeyWOWXPRKOPSCVCS-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803705
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-pentylbenzene
CID 21464596
1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803818
1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene
CID 139648653
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803625
1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
CID 21464604
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene
CID 21464583
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
1,13-bis[4-(4-propylcyclohexyl)phenyl]tridecan-7-one
CID 70445108
2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 56924653

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene?
The IUPAC name of 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene (CID 22131658) is 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene.
What is the SMILES notation for 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene?
The canonical SMILES for 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene is C=C(CC)CCc1ccc(C2CC=C(CCC3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene?
The InChIKey is WOWXPRKOPSCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44/c1-4-6-24-9-11-26(12-10-24)13-14-27-17-21-29(22-18-27)28-19-15-25(16-20-28)8-7-23(3)5-2/h15-17,19-20,24,26,29H,3-14,18,21-22H2,1-2H3.
What are the key properties of 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene?
1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene has a molecular weight of 392.67 g/mol, XLogP of 9.17, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 22131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).