(3S)-3-methyloxolan-2-one

C5H8O2 — CID 6950120

IUPAC(3S)-3-methyloxolan-2-one
SMILESC[C@H]1CCOC1=O
InChIInChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyQGLBZNZGBLRJGS-BYPYZUCNSA-N
MW100.12 g/mol
LogP0.57
Rot. Bonds

About (3S)-3-methyloxolan-2-one

(3S)-3-methyloxolan-2-one (PubChem CID 6950120) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (3S)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-methyloxolan-2-one
PubChem CID6950120
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(3S)-3-methyloxolan-2-one
SMILESC[C@H]1CCOC1=O
InChIInChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyQGLBZNZGBLRJGS-BYPYZUCNSA-N
XLogP0.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyloxolan-2-one?
The IUPAC name of (3S)-3-methyloxolan-2-one (CID 6950120) is (3S)-3-methyloxolan-2-one.
What is the SMILES notation for (3S)-3-methyloxolan-2-one?
The canonical SMILES for (3S)-3-methyloxolan-2-one is C[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-methyloxolan-2-one?
The InChIKey is QGLBZNZGBLRJGS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-methyloxolan-2-one?
(3S)-3-methyloxolan-2-one has a molecular weight of 100.12 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyloxolan-2-one is sourced from PubChem (CID 6950120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).