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

C34H44 — CID 139864116

IUPAC2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
SMILESCCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CCCCC)ccc4c3)cc2)CC1
InChIInChI=1S/C34H44/c1-3-5-7-9-27-13-19-31(20-14-27)32-21-15-28(16-22-32)11-12-30-18-24-33-25-29(10-8-6-4-2)17-23-34(33)26-30/h7,9,15-18,21-27,31H,3-6,8,10-14,19-20H2,1-2H3/b9-7+
InChIKeyIPQOAQURPMUZTJ-VQHVLOKHSA-N
MW452.73 g/mol
LogP9.99
Rot. Bonds11

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

2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene (PubChem CID 139864116) has the molecular formula C34H44 and a molecular weight of 452.73 g/mol. Its IUPAC name is 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene.

Molecular Properties

Compound Name2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
PubChem CID139864116
Molecular FormulaC34H44
Molecular Weight452.73 g/mol
Exact Mass452.34
IUPAC Name2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
SMILESCCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CCCCC)ccc4c3)cc2)CC1
InChIInChI=1S/C34H44/c1-3-5-7-9-27-13-19-31(20-14-27)32-21-15-28(16-22-32)11-12-30-18-24-33-25-29(10-8-6-4-2)17-23-34(33)26-30/h7,9,15-18,21-27,31H,3-6,8,10-14,19-20H2,1-2H3/b9-7+
InChIKeyIPQOAQURPMUZTJ-VQHVLOKHSA-N
XLogP9.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 59.99
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-propylnaphthalene
CID 139863895
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
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
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139863811
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene?
The IUPAC name of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene (CID 139864116) is 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene.
What is the SMILES notation for 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene?
The canonical SMILES for 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene is CCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CCCCC)ccc4c3)cc2)CC1.
What is the InChIKey of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene?
The InChIKey is IPQOAQURPMUZTJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C34H44/c1-3-5-7-9-27-13-19-31(20-14-27)32-21-15-28(16-22-32)11-12-30-18-24-33-25-29(10-8-6-4-2)17-23-34(33)26-30/h7,9,15-18,21-27,31H,3-6,8,10-14,19-20H2,1-2H3/b9-7+.
What are the key properties of 2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene?
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene has a molecular weight of 452.73 g/mol, XLogP of 9.99, 11 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-pentylnaphthalene is sourced from PubChem (CID 139864116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).