1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane

C24H44 — CID 20541016

IUPAC1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane
SMILESCC(CC(C1CCCCC1)C1(C)CCCCC1C)C1CCCCC1
InChIInChI=1S/C24H44/c1-19(21-13-6-4-7-14-21)18-23(22-15-8-5-9-16-22)24(3)17-11-10-12-20(24)2/h19-23H,4-18H2,1-3H3
InChIKeyGZSCOVYRUPKOHA-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.01
Rot. Bonds5

About 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane

1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane (PubChem CID 20541016) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane
PubChem CID20541016
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane
SMILESCC(CC(C1CCCCC1)C1(C)CCCCC1C)C1CCCCC1
InChIInChI=1S/C24H44/c1-19(21-13-6-4-7-14-21)18-23(22-15-8-5-9-16-22)24(3)17-11-10-12-20(24)2/h19-23H,4-18H2,1-3H3
InChIKeyGZSCOVYRUPKOHA-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane?
The IUPAC name of 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane (CID 20541016) is 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane.
What is the SMILES notation for 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane?
The canonical SMILES for 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane is CC(CC(C1CCCCC1)C1(C)CCCCC1C)C1CCCCC1.
What is the InChIKey of 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane?
The InChIKey is GZSCOVYRUPKOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-19(21-13-6-4-7-14-21)18-23(22-15-8-5-9-16-22)24(3)17-11-10-12-20(24)2/h19-23H,4-18H2,1-3H3.
What are the key properties of 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane?
1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dicyclohexylbutyl)-1,2-dimethylcyclohexane is sourced from PubChem (CID 20541016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).