(2S,4R)-2-butyl-4-methyloxolane

C9H18O — CID 101159194

IUPAC(2S,4R)-2-butyl-4-methyloxolane
SMILESCCCC[C@H]1C[C@@H](C)CO1
InChIInChI=1S/C9H18O/c1-3-4-5-9-6-8(2)7-10-9/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyRRNQBSWYXZPQHI-BDAKNGLRSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds3

About (2S,4R)-2-butyl-4-methyloxolane

(2S,4R)-2-butyl-4-methyloxolane (PubChem CID 101159194) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,4R)-2-butyl-4-methyloxolane.

Molecular Properties

Compound Name(2S,4R)-2-butyl-4-methyloxolane
PubChem CID101159194
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,4R)-2-butyl-4-methyloxolane
SMILESCCCC[C@H]1C[C@@H](C)CO1
InChIInChI=1S/C9H18O/c1-3-4-5-9-6-8(2)7-10-9/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyRRNQBSWYXZPQHI-BDAKNGLRSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,4R)-2-butyl-4-methyloxolane 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 (2S,4R)-2-butyl-4-methyloxolane?
The IUPAC name of (2S,4R)-2-butyl-4-methyloxolane (CID 101159194) is (2S,4R)-2-butyl-4-methyloxolane.
What is the SMILES notation for (2S,4R)-2-butyl-4-methyloxolane?
The canonical SMILES for (2S,4R)-2-butyl-4-methyloxolane is CCCC[C@H]1C[C@@H](C)CO1.
What is the InChIKey of (2S,4R)-2-butyl-4-methyloxolane?
The InChIKey is RRNQBSWYXZPQHI-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-9-6-8(2)7-10-9/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-2-butyl-4-methyloxolane?
(2S,4R)-2-butyl-4-methyloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-butyl-4-methyloxolane is sourced from PubChem (CID 101159194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).