1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane

C29H48 — CID 173281898

IUPAC1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
SMILESC=CC1CCC(CC/C=C/C2CCCCC2C(=C)C2(CCC)CCCCC2)CC1
InChIInChI=1S/C29H48/c1-4-21-29(22-11-6-12-23-29)24(3)28-16-10-9-15-27(28)14-8-7-13-26-19-17-25(5-2)18-20-26/h5,8,14,25-28H,2-4,6-7,9-13,15-23H2,1H3/b14-8+
InChIKeyBBKPVAXLKOFBKF-RIYZIHGNSA-N
MW396.70 g/mol
LogP9.43
Rot. Bonds9

About 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane

1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane (PubChem CID 173281898) has the molecular formula C29H48 and a molecular weight of 396.70 g/mol. Its IUPAC name is 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
PubChem CID173281898
Molecular FormulaC29H48
Molecular Weight396.70 g/mol
Exact Mass396.38
IUPAC Name1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
SMILESC=CC1CCC(CC/C=C/C2CCCCC2C(=C)C2(CCC)CCCCC2)CC1
InChIInChI=1S/C29H48/c1-4-21-29(22-11-6-12-23-29)24(3)28-16-10-9-15-27(28)14-8-7-13-26-19-17-25(5-2)18-20-26/h5,8,14,25-28H,2-4,6-7,9-13,15-23H2,1H3/b14-8+
InChIKeyBBKPVAXLKOFBKF-RIYZIHGNSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane 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

ent-Cassa-12,15-diene
CID 11471283
Ent-pimara-8(14),15-diene
CID 12314280
9beta-Pimara-7,15-diene
CID 10355909
Isopimara-7,15-diene
CID 13969536
Sandaracopimaradiene
CID 443469
(4aR,4bR,7S,10aR)-7-Ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethylphenanthrene
CID 12314278
Dolabradiene
CID 12309316
Ent-isokaurene
CID 12311059
Miltiradiene
CID 20837867
Beyerene
CID 107412
Ent-pimara-9(11),15-diene
CID 14239489
Pimara-8(14),15-diene
CID 440909

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane (CID 173281898) is 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane is C=CC1CCC(CC/C=C/C2CCCCC2C(=C)C2(CCC)CCCCC2)CC1.
What is the InChIKey of 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
The InChIKey is BBKPVAXLKOFBKF-RIYZIHGNSA-N. The full InChI is InChI=1S/C29H48/c1-4-21-29(22-11-6-12-23-29)24(3)28-16-10-9-15-27(28)14-8-7-13-26-19-17-25(5-2)18-20-26/h5,8,14,25-28H,2-4,6-7,9-13,15-23H2,1H3/b14-8+.
What are the key properties of 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane?
1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane has a molecular weight of 396.70 g/mol, XLogP of 9.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane is sourced from PubChem (CID 173281898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).