butan-2-ylcyclohexane

C10H20 — CID 23468

IUPACbutan-2-ylcyclohexane
SMILESCCC(C)C1CCCCC1
InChIInChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyQTYARKOMFKRPSY-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds2

About butan-2-ylcyclohexane

butan-2-ylcyclohexane (PubChem CID 23468) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is butan-2-ylcyclohexane.

Molecular Properties

Compound Namebutan-2-ylcyclohexane
PubChem CID23468
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Namebutan-2-ylcyclohexane
SMILESCCC(C)C1CCCCC1
InChIInChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyQTYARKOMFKRPSY-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-2-ylcyclohexane?
The IUPAC name of butan-2-ylcyclohexane (CID 23468) is butan-2-ylcyclohexane.
What is the SMILES notation for butan-2-ylcyclohexane?
The canonical SMILES for butan-2-ylcyclohexane is CCC(C)C1CCCCC1.
What is the InChIKey of butan-2-ylcyclohexane?
The InChIKey is QTYARKOMFKRPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of butan-2-ylcyclohexane?
butan-2-ylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclohexane is sourced from PubChem (CID 23468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).