(2S,4S)-2-methyl-4-propan-2-yloxolane

C8H16O — CID 134861879

IUPAC(2S,4S)-2-methyl-4-propan-2-yloxolane
SMILESCC(C)[C@H]1CO[C@@H](C)C1
InChIInChI=1S/C8H16O/c1-6(2)8-4-7(3)9-5-8/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyWUXKLUYQVWVZAM-JGVFFNPUSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds1

About (2S,4S)-2-methyl-4-propan-2-yloxolane

(2S,4S)-2-methyl-4-propan-2-yloxolane (PubChem CID 134861879) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2S,4S)-2-methyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,4S)-2-methyl-4-propan-2-yloxolane
PubChem CID134861879
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2S,4S)-2-methyl-4-propan-2-yloxolane
SMILESCC(C)[C@H]1CO[C@@H](C)C1
InChIInChI=1S/C8H16O/c1-6(2)8-4-7(3)9-5-8/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyWUXKLUYQVWVZAM-JGVFFNPUSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,4S)-2-methyl-4-propan-2-yloxolane 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,4S)-2-methyl-4-propan-2-yloxolane?
The IUPAC name of (2S,4S)-2-methyl-4-propan-2-yloxolane (CID 134861879) is (2S,4S)-2-methyl-4-propan-2-yloxolane.
What is the SMILES notation for (2S,4S)-2-methyl-4-propan-2-yloxolane?
The canonical SMILES for (2S,4S)-2-methyl-4-propan-2-yloxolane is CC(C)[C@H]1CO[C@@H](C)C1.
What is the InChIKey of (2S,4S)-2-methyl-4-propan-2-yloxolane?
The InChIKey is WUXKLUYQVWVZAM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)8-4-7(3)9-5-8/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,4S)-2-methyl-4-propan-2-yloxolane?
(2S,4S)-2-methyl-4-propan-2-yloxolane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-4-propan-2-yloxolane is sourced from PubChem (CID 134861879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).