(4S)-4-methyloxolan-2-one

C5H8O2 — CID 11115993

IUPAC(4S)-4-methyloxolan-2-one
SMILESC[C@@H]1COC(=O)C1
InChIInChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyALZLTHLQMAFAPA-BYPYZUCNSA-N
MW100.12 g/mol
LogP0.57
Rot. Bonds

About (4S)-4-methyloxolan-2-one

(4S)-4-methyloxolan-2-one (PubChem CID 11115993) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (4S)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S)-4-methyloxolan-2-one
PubChem CID11115993
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(4S)-4-methyloxolan-2-one
SMILESC[C@@H]1COC(=O)C1
InChIInChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyALZLTHLQMAFAPA-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 (4S)-4-methyloxolan-2-one?
The IUPAC name of (4S)-4-methyloxolan-2-one (CID 11115993) is (4S)-4-methyloxolan-2-one.
What is the SMILES notation for (4S)-4-methyloxolan-2-one?
The canonical SMILES for (4S)-4-methyloxolan-2-one is C[C@@H]1COC(=O)C1.
What is the InChIKey of (4S)-4-methyloxolan-2-one?
The InChIKey is ALZLTHLQMAFAPA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-4-methyloxolan-2-one?
(4S)-4-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 (4S)-4-methyloxolan-2-one is sourced from PubChem (CID 11115993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).