1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene

C29H46 — CID 19987930

IUPAC1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
SMILESCCCCCCC1CCC(C2CC=C(CCc3ccc(CCC)cc3)CC2)CC1
InChIInChI=1S/C29H46/c1-3-5-6-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(8-4-2)11-13-26/h10-13,18,25,28-29H,3-9,14-17,19-23H2,1-2H3
InChIKeyAHAUMQKFNTZFAE-UHFFFAOYSA-N
MW394.69 g/mol
LogP9.07
Rot. Bonds11

About 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene

1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene (PubChem CID 19987930) has the molecular formula C29H46 and a molecular weight of 394.69 g/mol. Its IUPAC name is 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
PubChem CID19987930
Molecular FormulaC29H46
Molecular Weight394.69 g/mol
Exact Mass394.36
IUPAC Name1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
SMILESCCCCCCC1CCC(C2CC=C(CCc3ccc(CCC)cc3)CC2)CC1
InChIInChI=1S/C29H46/c1-3-5-6-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(8-4-2)11-13-26/h10-13,18,25,28-29H,3-9,14-17,19-23H2,1-2H3
InChIKeyAHAUMQKFNTZFAE-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methoxybenzene
CID 19988191
2-fluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]ethyl]benzonitrile
CID 19988187
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzonitrile
CID 19988290
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene?
The IUPAC name of 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene (CID 19987930) is 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene.
What is the SMILES notation for 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene?
The canonical SMILES for 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene is CCCCCCC1CCC(C2CC=C(CCc3ccc(CCC)cc3)CC2)CC1.
What is the InChIKey of 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene?
The InChIKey is AHAUMQKFNTZFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46/c1-3-5-6-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(8-4-2)11-13-26/h10-13,18,25,28-29H,3-9,14-17,19-23H2,1-2H3.
What are the key properties of 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene?
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene has a molecular weight of 394.69 g/mol, XLogP of 9.07, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene is sourced from PubChem (CID 19987930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).