2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene

C31H44 — CID 139852148

IUPAC2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCc1ccc(-c2ccc3c(c2)CCC(C2CCC(CCCC)CC2)C3)cc1
InChIInChI=1S/C31H44/c1-3-5-7-9-25-12-16-27(17-13-25)29-19-21-30-22-28(18-20-31(30)23-29)26-14-10-24(11-15-26)8-6-4-2/h12-13,16-17,19,21,23-24,26,28H,3-11,14-15,18,20,22H2,1-2H3
InChIKeyZVORSYKOCLMMMV-UHFFFAOYSA-N
MW416.69 g/mol
LogP9.19
Rot. Bonds9

About 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene

2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852148) has the molecular formula C31H44 and a molecular weight of 416.69 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139852148
Molecular FormulaC31H44
Molecular Weight416.69 g/mol
Exact Mass416.34
IUPAC Name2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCc1ccc(-c2ccc3c(c2)CCC(C2CCC(CCCC)CC2)C3)cc1
InChIInChI=1S/C31H44/c1-3-5-7-9-25-12-16-27(17-13-25)29-19-21-30-22-28(18-20-31(30)23-29)26-14-10-24(11-15-26)8-6-4-2/h12-13,16-17,19,21,23-24,26,28H,3-11,14-15,18,20,22H2,1-2H3
InChIKeyZVORSYKOCLMMMV-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-6-(4-hexylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500542
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
4-[6-(4-butylcyclohexyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-2-fluorobenzonitrile
CID 139853417
6-fluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139867557
2-[(6R,8aR)-6-pent-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 91055196
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
6-heptyl-2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22383065
6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135
2-[(6R,8aR)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20808644
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852535
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139852148) is 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCCCc1ccc(-c2ccc3c(c2)CCC(C2CCC(CCCC)CC2)C3)cc1.
What is the InChIKey of 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZVORSYKOCLMMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44/c1-3-5-7-9-25-12-16-27(17-13-25)29-19-21-30-22-28(18-20-31(30)23-29)26-14-10-24(11-15-26)8-6-4-2/h12-13,16-17,19,21,23-24,26,28H,3-11,14-15,18,20,22H2,1-2H3.
What are the key properties of 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene?
2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 416.69 g/mol, XLogP of 9.19, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)-6-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).