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

C27H30 — CID 139860723

IUPAC2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
SMILESC/C=C/C1CCC(c2ccc(-c3ccc4cc(CC)ccc4c3)cc2)CC1
InChIInChI=1S/C27H30/c1-3-5-21-7-9-22(10-8-21)23-12-14-24(15-13-23)26-17-16-25-18-20(4-2)6-11-27(25)19-26/h3,5-6,11-19,21-22H,4,7-10H2,1-2H3/b5-3+
InChIKeyVPDVAYBHCZRPEF-HWKANZROSA-N
MW354.54 g/mol
LogP7.92
Rot. Bonds4

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

2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene (PubChem CID 139860723) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
PubChem CID139860723
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
SMILESC/C=C/C1CCC(c2ccc(-c3ccc4cc(CC)ccc4c3)cc2)CC1
InChIInChI=1S/C27H30/c1-3-5-21-7-9-22(10-8-21)23-12-14-24(15-13-23)26-17-16-25-18-20(4-2)6-11-27(25)19-26/h3,5-6,11-19,21-22H,4,7-10H2,1-2H3/b5-3+
InChIKeyVPDVAYBHCZRPEF-HWKANZROSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 57.92
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-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
2-chloro-1-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 19095005
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1,3-difluoro-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 70820945
1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677413
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene?
The IUPAC name of 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene (CID 139860723) is 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene.
What is the SMILES notation for 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene?
The canonical SMILES for 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene is C/C=C/C1CCC(c2ccc(-c3ccc4cc(CC)ccc4c3)cc2)CC1.
What is the InChIKey of 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene?
The InChIKey is VPDVAYBHCZRPEF-HWKANZROSA-N. The full InChI is InChI=1S/C27H30/c1-3-5-21-7-9-22(10-8-21)23-12-14-24(15-13-23)26-17-16-25-18-20(4-2)6-11-27(25)19-26/h3,5-6,11-19,21-22H,4,7-10H2,1-2H3/b5-3+.
What are the key properties of 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene?
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene has a molecular weight of 354.54 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene is sourced from PubChem (CID 139860723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).