2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene

C32H40 — CID 139863895

IUPAC2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
SMILESCCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CCC)ccc4c3)cc2)CC1
InChIInChI=1S/C32H40/c1-3-5-6-8-25-11-17-29(18-12-25)30-19-13-26(14-20-30)9-10-28-16-22-31-23-27(7-4-2)15-21-32(31)24-28/h6,8,13-16,19-25,29H,3-5,7,9-12,17-18H2,1-2H3/b8-6+
InChIKeyLXGHPZQUHGEHNU-SOFGYWHQSA-N
MW424.67 g/mol
LogP9.21
Rot. Bonds9

About 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene

2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene (PubChem CID 139863895) has the molecular formula C32H40 and a molecular weight of 424.67 g/mol. Its IUPAC name is 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene.

Molecular Properties

Compound Name2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
PubChem CID139863895
Molecular FormulaC32H40
Molecular Weight424.67 g/mol
Exact Mass424.31
IUPAC Name2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
SMILESCCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CCC)ccc4c3)cc2)CC1
InChIInChI=1S/C32H40/c1-3-5-6-8-25-11-17-29(18-12-25)30-19-13-26(14-20-30)9-10-28-16-22-31-23-27(7-4-2)15-21-32(31)24-28/h6,8,13-16,19-25,29H,3-5,7,9-12,17-18H2,1-2H3/b8-6+
InChIKeyLXGHPZQUHGEHNU-SOFGYWHQSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 59.21
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-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
CID 139861782
1,2-difluoro-7-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-3-pentylnaphthalene
CID 139861566
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-(4-pent-1-enylcyclohexyl)-4-(propoxymethyl)benzene
CID 54131029
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene?
The IUPAC name of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene (CID 139863895) is 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene.
What is the SMILES notation for 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene?
The canonical SMILES for 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene is CCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CCC)ccc4c3)cc2)CC1.
What is the InChIKey of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene?
The InChIKey is LXGHPZQUHGEHNU-SOFGYWHQSA-N. The full InChI is InChI=1S/C32H40/c1-3-5-6-8-25-11-17-29(18-12-25)30-19-13-26(14-20-30)9-10-28-16-22-31-23-27(7-4-2)15-21-32(31)24-28/h6,8,13-16,19-25,29H,3-5,7,9-12,17-18H2,1-2H3/b8-6+.
What are the key properties of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene?
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene has a molecular weight of 424.67 g/mol, XLogP of 9.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene is sourced from PubChem (CID 139863895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).