2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

C32H46 — CID 139861118

IUPAC2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESC/C=C/CCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1
InChIInChI=1S/C32H46/c1-3-5-6-8-27-15-21-32-24-28(16-22-31(32)23-27)10-9-26-13-19-30(20-14-26)29-17-11-25(7-4-2)12-18-29/h3,5,15-16,21-26,29-30H,4,6-14,17-20H2,1-2H3/b5-3+
InChIKeyLXZJNAFNTSLFND-HWKANZROSA-N
MW430.72 g/mol
LogP9.69
Rot. Bonds9

About 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene

2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139861118) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139861118
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESC/C=C/CCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1
InChIInChI=1S/C32H46/c1-3-5-6-8-27-15-21-32-24-28(16-22-31(32)23-27)10-9-26-13-19-30(20-14-26)29-17-11-25(7-4-2)12-18-29/h3,5,15-16,21-26,29-30H,4,6-14,17-20H2,1-2H3/b5-3+
InChIKeyLXZJNAFNTSLFND-HWKANZROSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 59.69
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

1-fluoro-6-[(E)-pent-3-enyl]-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863817
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
1-fluoro-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139876962
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
2-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-[(E)-pent-3-enyl]naphthalene
CID 20807949
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 19798745
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116
1-fluoro-6-[2-(4-methylcyclohexyl)ethyl]-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139876960

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139861118) is 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is C/C=C/CCc1ccc2cc(CCC3CCC(C4CCC(CCC)CC4)CC3)ccc2c1.
What is the InChIKey of 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is LXZJNAFNTSLFND-HWKANZROSA-N. The full InChI is InChI=1S/C32H46/c1-3-5-6-8-27-15-21-32-24-28(16-22-31(32)23-27)10-9-26-13-19-30(20-14-26)29-17-11-25(7-4-2)12-18-29/h3,5,15-16,21-26,29-30H,4,6-14,17-20H2,1-2H3/b5-3+.
What are the key properties of 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene?
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 430.72 g/mol, XLogP of 9.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).