(4S)-4-methyloxan-2-one

C6H10O2 — CID 11789172

IUPAC(4S)-4-methyloxan-2-one
SMILESC[C@H]1CCOC(=O)C1
InChIInChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyYHTLGFCVBKENTE-YFKPBYRVSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds

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

(4S)-4-methyloxan-2-one (PubChem CID 11789172) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (4S)-4-methyloxan-2-one.

Molecular Properties

Compound Name(4S)-4-methyloxan-2-one
PubChem CID11789172
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(4S)-4-methyloxan-2-one
SMILESC[C@H]1CCOC(=O)C1
InChIInChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyYHTLGFCVBKENTE-YFKPBYRVSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyloxan-2-one?
The IUPAC name of (4S)-4-methyloxan-2-one (CID 11789172) is (4S)-4-methyloxan-2-one.
What is the SMILES notation for (4S)-4-methyloxan-2-one?
The canonical SMILES for (4S)-4-methyloxan-2-one is C[C@H]1CCOC(=O)C1.
What is the InChIKey of (4S)-4-methyloxan-2-one?
The InChIKey is YHTLGFCVBKENTE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (4S)-4-methyloxan-2-one?
(4S)-4-methyloxan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyloxan-2-one is sourced from PubChem (CID 11789172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).