6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C36H50 — CID 139852909

IUPAC6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(C3CCC(CCCC)CC3)C4)cc2)CC1
InChIInChI=1S/C36H50/c1-3-5-7-27-9-13-29(14-10-27)30-17-19-32(20-18-30)34-22-24-35-25-33(21-23-36(35)26-34)31-15-11-28(12-16-31)8-6-4-2/h3,17-20,22,24,26-29,31,33H,1,4-16,21,23,25H2,2H3
InChIKeyLRRRDNILILSYAL-UHFFFAOYSA-N
MW482.80 g/mol
LogP10.70
Rot. Bonds9

About 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852909) has the molecular formula C36H50 and a molecular weight of 482.80 g/mol. Its IUPAC name is 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852909
Molecular FormulaC36H50
Molecular Weight482.80 g/mol
Exact Mass482.39
IUPAC Name6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(C3CCC(CCCC)CC3)C4)cc2)CC1
InChIInChI=1S/C36H50/c1-3-5-7-27-9-13-29(14-10-27)30-17-19-32(20-18-30)34-22-24-35-25-33(21-23-36(35)26-34)31-15-11-28(12-16-31)8-6-4-2/h3,17-20,22,24,26-29,31,33H,1,4-16,21,23,25H2,2H3
InChIKeyLRRRDNILILSYAL-UHFFFAOYSA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 139852909) is 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is C=CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(C3CCC(CCCC)CC3)C4)cc2)CC1.
What is the InChIKey of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LRRRDNILILSYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50/c1-3-5-7-27-9-13-29(14-10-27)30-17-19-32(20-18-30)34-22-24-35-25-33(21-23-36(35)26-34)31-15-11-28(12-16-31)8-6-4-2/h3,17-20,22,24,26-29,31,33H,1,4-16,21,23,25H2,2H3.
What are the key properties of 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 482.80 g/mol, XLogP of 10.70, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).