2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene

C29H34 — CID 139861082

IUPAC2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
SMILESC=CC1CCC(c2ccc(CCc3ccc4cc(CCC)ccc4c3)cc2)CC1
InChIInChI=1S/C29H34/c1-3-5-24-12-18-29-21-25(13-19-28(29)20-24)7-6-23-10-16-27(17-11-23)26-14-8-22(4-2)9-15-26/h4,10-13,16-22,26H,2-3,5-9,14-15H2,1H3
InChIKeyMSHLIKILTNTMAH-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.04
Rot. Bonds7

About 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene

2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene (PubChem CID 139861082) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
PubChem CID139861082
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
SMILESC=CC1CCC(c2ccc(CCc3ccc4cc(CCC)ccc4c3)cc2)CC1
InChIInChI=1S/C29H34/c1-3-5-24-12-18-29-21-25(13-19-28(29)20-24)7-6-23-10-16-27(17-11-23)26-14-8-22(4-2)9-15-26/h4,10-13,16-22,26H,2-3,5-9,14-15H2,1H3
InChIKeyMSHLIKILTNTMAH-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.04
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-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853341
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139862825
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
CID 147093203
3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139863503
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene?
The IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene (CID 139861082) is 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene.
What is the SMILES notation for 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene?
The canonical SMILES for 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene is C=CC1CCC(c2ccc(CCc3ccc4cc(CCC)ccc4c3)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene?
The InChIKey is MSHLIKILTNTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-3-5-24-12-18-29-21-25(13-19-28(29)20-24)7-6-23-10-16-27(17-11-23)26-14-8-22(4-2)9-15-26/h4,10-13,16-22,26H,2-3,5-9,14-15H2,1H3.
What are the key properties of 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene?
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene has a molecular weight of 382.59 g/mol, XLogP of 8.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene is sourced from PubChem (CID 139861082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).