2-(4-methylpentyl)oxolane

C10H20O — CID 23568648

IUPAC2-(4-methylpentyl)oxolane
SMILESCC(C)CCCC1CCCO1
InChIInChI=1S/C10H20O/c1-9(2)5-3-6-10-7-4-8-11-10/h9-10H,3-8H2,1-2H3
InChIKeyKQWMZNNZYONYQW-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds4

About 2-(4-methylpentyl)oxolane

2-(4-methylpentyl)oxolane (PubChem CID 23568648) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(4-methylpentyl)oxolane.

Molecular Properties

Compound Name2-(4-methylpentyl)oxolane
PubChem CID23568648
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-(4-methylpentyl)oxolane
SMILESCC(C)CCCC1CCCO1
InChIInChI=1S/C10H20O/c1-9(2)5-3-6-10-7-4-8-11-10/h9-10H,3-8H2,1-2H3
InChIKeyKQWMZNNZYONYQW-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-methylpentyl)oxolane 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 2-(4-methylpentyl)oxolane?
The IUPAC name of 2-(4-methylpentyl)oxolane (CID 23568648) is 2-(4-methylpentyl)oxolane.
What is the SMILES notation for 2-(4-methylpentyl)oxolane?
The canonical SMILES for 2-(4-methylpentyl)oxolane is CC(C)CCCC1CCCO1.
What is the InChIKey of 2-(4-methylpentyl)oxolane?
The InChIKey is KQWMZNNZYONYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)5-3-6-10-7-4-8-11-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylpentyl)oxolane?
2-(4-methylpentyl)oxolane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)oxolane is sourced from PubChem (CID 23568648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).