1-butyl-4-cyclohexylnaphthalene

C20H26 — CID 173269132

IUPAC1-butyl-4-cyclohexylnaphthalene
SMILESCCCCc1ccc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C20H26/c1-2-3-9-17-14-15-19(16-10-5-4-6-11-16)20-13-8-7-12-18(17)20/h7-8,12-16H,2-6,9-11H2,1H3
InChIKeyIVSAKPIUSRXNGO-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.23
Rot. Bonds4

About 1-butyl-4-cyclohexylnaphthalene

1-butyl-4-cyclohexylnaphthalene (PubChem CID 173269132) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-butyl-4-cyclohexylnaphthalene.

Molecular Properties

Compound Name1-butyl-4-cyclohexylnaphthalene
PubChem CID173269132
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-butyl-4-cyclohexylnaphthalene
SMILESCCCCc1ccc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C20H26/c1-2-3-9-17-14-15-19(16-10-5-4-6-11-16)20-13-8-7-12-18(17)20/h7-8,12-16H,2-6,9-11H2,1H3
InChIKeyIVSAKPIUSRXNGO-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-cyclohexylnaphthalene?
The IUPAC name of 1-butyl-4-cyclohexylnaphthalene (CID 173269132) is 1-butyl-4-cyclohexylnaphthalene.
What is the SMILES notation for 1-butyl-4-cyclohexylnaphthalene?
The canonical SMILES for 1-butyl-4-cyclohexylnaphthalene is CCCCc1ccc(C2CCCCC2)c2ccccc12.
What is the InChIKey of 1-butyl-4-cyclohexylnaphthalene?
The InChIKey is IVSAKPIUSRXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-2-3-9-17-14-15-19(16-10-5-4-6-11-16)20-13-8-7-12-18(17)20/h7-8,12-16H,2-6,9-11H2,1H3.
What are the key properties of 1-butyl-4-cyclohexylnaphthalene?
1-butyl-4-cyclohexylnaphthalene has a molecular weight of 266.43 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-cyclohexylnaphthalene is sourced from PubChem (CID 173269132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).