6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene

C33H45F — CID 139863783

IUPAC6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC=CCCC1CCC(CCC2CCC(c3ccc4c(F)c(CC/C=C/C)ccc4c3)CC2)CC1
InChIInChI=1S/C33H45F/c1-3-5-7-9-29-20-21-31-24-30(22-23-32(31)33(29)34)28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)8-6-4-2/h3-5,20-28H,2,6-19H2,1H3/b5-3+
InChIKeyKALMAEXUAUZYCF-HWKANZROSA-N
MW460.72 g/mol
LogP10.31
Rot. Bonds10

About 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene

6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (PubChem CID 139863783) has the molecular formula C33H45F and a molecular weight of 460.72 g/mol. Its IUPAC name is 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
PubChem CID139863783
Molecular FormulaC33H45F
Molecular Weight460.72 g/mol
Exact Mass460.35
IUPAC Name6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
SMILESC=CCCC1CCC(CCC2CCC(c3ccc4c(F)c(CC/C=C/C)ccc4c3)CC2)CC1
InChIInChI=1S/C33H45F/c1-3-5-7-9-29-20-21-31-24-30(22-23-32(31)33(29)34)28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)8-6-4-2/h3-5,20-28H,2,6-19H2,1H3/b5-3+
InChIKeyKALMAEXUAUZYCF-HWKANZROSA-N
XLogP10.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.72
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene with MolForge

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Related Compounds

6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 139863275
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
CID 139856609

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene (CID 139863783) is 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is C=CCCC1CCC(CCC2CCC(c3ccc4c(F)c(CC/C=C/C)ccc4c3)CC2)CC1.
What is the InChIKey of 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
The InChIKey is KALMAEXUAUZYCF-HWKANZROSA-N. The full InChI is InChI=1S/C33H45F/c1-3-5-7-9-29-20-21-31-24-30(22-23-32(31)33(29)34)28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)8-6-4-2/h3-5,20-28H,2,6-19H2,1H3/b5-3+.
What are the key properties of 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene?
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene has a molecular weight of 460.72 g/mol, XLogP of 10.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139863783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).