2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene

C29H32 — CID 139861903

IUPAC2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
SMILESC=CC1CCC(CCc2ccc(-c3ccc4cc(/C=C/C)ccc4c3)cc2)CC1
InChIInChI=1S/C29H32/c1-3-5-25-14-17-29-21-28(19-18-27(29)20-25)26-15-12-24(13-16-26)11-10-23-8-6-22(4-2)7-9-23/h3-5,12-23H,2,6-11H2,1H3/b5-3+
InChIKeyMDVSPZBKUJXTLZ-HWKANZROSA-N
MW380.58 g/mol
LogP8.46
Rot. Bonds6

About 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene

2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene (PubChem CID 139861903) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
PubChem CID139861903
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
SMILESC=CC1CCC(CCc2ccc(-c3ccc4cc(/C=C/C)ccc4c3)cc2)CC1
InChIInChI=1S/C29H32/c1-3-5-25-14-17-29-21-28(19-18-27(29)20-25)26-15-12-24(13-16-26)11-10-23-8-6-22(4-2)7-9-23/h3-5,12-23H,2,6-11H2,1H3/b5-3+
InChIKeyMDVSPZBKUJXTLZ-HWKANZROSA-N
XLogP8.46
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 ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene 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

2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139862065
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
CID 57241034
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
CID 139862731
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene
CID 176625829
6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861325
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861661
1-[4-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607090

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene (CID 139861903) is 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene is C=CC1CCC(CCc2ccc(-c3ccc4cc(/C=C/C)ccc4c3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene?
The InChIKey is MDVSPZBKUJXTLZ-HWKANZROSA-N. The full InChI is InChI=1S/C29H32/c1-3-5-25-14-17-29-21-28(19-18-27(29)20-25)26-15-12-24(13-16-26)11-10-23-8-6-22(4-2)7-9-23/h3-5,12-23H,2,6-11H2,1H3/b5-3+.
What are the key properties of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene?
2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene has a molecular weight of 380.58 g/mol, XLogP of 8.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139861903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).