2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene

C29H32 — CID 139862065

IUPAC2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene
SMILESC=CCCC1CCC(c2ccc(-c3ccc4cc(/C=C/C)ccc4c3)cc2)CC1
InChIInChI=1S/C29H32/c1-3-5-7-22-8-11-24(12-9-22)25-14-16-26(17-15-25)28-19-18-27-20-23(6-4-2)10-13-29(27)21-28/h3-4,6,10,13-22,24H,1,5,7-9,11-12H2,2H3/b6-4+
InChIKeyBBFCINVRPCKPRO-GQCTYLIASA-N
MW380.58 g/mol
LogP8.78
Rot. Bonds6

About 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene

2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene (PubChem CID 139862065) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene
PubChem CID139862065
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene
SMILESC=CCCC1CCC(c2ccc(-c3ccc4cc(/C=C/C)ccc4c3)cc2)CC1
InChIInChI=1S/C29H32/c1-3-5-7-22-8-11-24(12-9-22)25-14-16-26(17-15-25)28-19-18-27-20-23(6-4-2)10-13-29(27)21-28/h3-4,6,10,13-22,24H,1,5,7-9,11-12H2,2H3/b6-4+
InChIKeyBBFCINVRPCKPRO-GQCTYLIASA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 58.78
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

2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139861903
2-ethenyl-6-[4-(4-ethylcyclohexyl)phenyl]naphthalene
CID 139862037
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
1-[4-[(E)-2-(4-but-3-enylcyclohexyl)ethenyl]cyclohexyl]-4-methylbenzene
CID 163625490
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 158251328
1-(4-but-3-enylcyclohexyl)-4-(4-methylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-(4-methylphenyl)benzene;1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 161280634
2-[(4-but-3-enylcyclohexyl)-difluoromethoxy]-3-fluoro-6-[(E)-prop-1-enyl]naphthalene
CID 139862155
1-(4-but-3-enylcyclohexyl)-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 140998010
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 144806030
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene (CID 139862065) is 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene is C=CCCC1CCC(c2ccc(-c3ccc4cc(/C=C/C)ccc4c3)cc2)CC1.
What is the InChIKey of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene?
The InChIKey is BBFCINVRPCKPRO-GQCTYLIASA-N. The full InChI is InChI=1S/C29H32/c1-3-5-7-22-8-11-24(12-9-22)25-14-16-26(17-15-25)28-19-18-27-20-23(6-4-2)10-13-29(27)21-28/h3-4,6,10,13-22,24H,1,5,7-9,11-12H2,2H3/b6-4+.
What are the key properties of 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene?
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene has a molecular weight of 380.58 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139862065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).