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

C34H50 — CID 139861782

IUPAC2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
SMILESCCC/C=C/C1CCC(CCC2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1
InChIInChI=1S/C34H50/c1-3-5-7-9-27-11-13-28(14-12-27)15-16-29-17-20-31(21-18-29)33-24-23-32-25-30(10-8-6-4-2)19-22-34(32)26-33/h7,9,19,22-29,31H,3-6,8,10-18,20-21H2,1-2H3/b9-7+
InChIKeyGVHFDEGUHBDQPL-VQHVLOKHSA-N
MW458.77 g/mol
LogP10.79
Rot. Bonds11

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

2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene (PubChem CID 139861782) has the molecular formula C34H50 and a molecular weight of 458.77 g/mol. Its IUPAC name is 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene.

Molecular Properties

Compound Name2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
PubChem CID139861782
Molecular FormulaC34H50
Molecular Weight458.77 g/mol
Exact Mass458.39
IUPAC Name2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
SMILESCCC/C=C/C1CCC(CCC2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1
InChIInChI=1S/C34H50/c1-3-5-7-9-27-11-13-28(14-12-27)15-16-29-17-20-31(21-18-29)33-24-23-32-25-30(10-8-6-4-2)19-22-34(32)26-33/h7,9,19,22-29,31H,3-6,8,10-18,20-21H2,1-2H3/b9-7+
InChIKeyGVHFDEGUHBDQPL-VQHVLOKHSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.77
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylnaphthalene
CID 139864116
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
1,2-difluoro-3-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-7-pentylnaphthalene
CID 139860614
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139862355
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene?
The IUPAC name of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene (CID 139861782) is 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene.
What is the SMILES notation for 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene?
The canonical SMILES for 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene is CCC/C=C/C1CCC(CCC2CCC(c3ccc4cc(CCCCC)ccc4c3)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene?
The InChIKey is GVHFDEGUHBDQPL-VQHVLOKHSA-N. The full InChI is InChI=1S/C34H50/c1-3-5-7-9-27-11-13-28(14-12-27)15-16-29-17-20-31(21-18-29)33-24-23-32-25-30(10-8-6-4-2)19-22-34(32)26-33/h7,9,19,22-29,31H,3-6,8,10-18,20-21H2,1-2H3/b9-7+.
What are the key properties of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene?
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene has a molecular weight of 458.77 g/mol, XLogP of 10.79, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene is sourced from PubChem (CID 139861782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).