butan-2-yloxycyclohexane

C10H20O — CID 20588870

IUPACbutan-2-yloxycyclohexane
SMILESCCC(C)OC1CCCCC1
InChIInChI=1S/C10H20O/c1-3-9(2)11-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyLIOFBZRFPYYIEN-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds3

About butan-2-yloxycyclohexane

butan-2-yloxycyclohexane (PubChem CID 20588870) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is butan-2-yloxycyclohexane.

Molecular Properties

Compound Namebutan-2-yloxycyclohexane
PubChem CID20588870
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namebutan-2-yloxycyclohexane
SMILESCCC(C)OC1CCCCC1
InChIInChI=1S/C10H20O/c1-3-9(2)11-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyLIOFBZRFPYYIEN-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butan-2-yloxycyclohexane 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-yloxycyclohexane?
The IUPAC name of butan-2-yloxycyclohexane (CID 20588870) is butan-2-yloxycyclohexane.
What is the SMILES notation for butan-2-yloxycyclohexane?
The canonical SMILES for butan-2-yloxycyclohexane is CCC(C)OC1CCCCC1.
What is the InChIKey of butan-2-yloxycyclohexane?
The InChIKey is LIOFBZRFPYYIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-9(2)11-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of butan-2-yloxycyclohexane?
butan-2-yloxycyclohexane has a molecular weight of 156.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxycyclohexane is sourced from PubChem (CID 20588870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).