(3S)-3-methoxy-4,4-dimethyloxolan-2-one

C7H12O3 — CID 13407497

IUPAC(3S)-3-methoxy-4,4-dimethyloxolan-2-one
SMILESCO[C@@H]1C(=O)OCC1(C)C
InChIInChI=1S/C7H12O3/c1-7(2)4-10-6(8)5(7)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyYAADWXYUBQRRJJ-RXMQYKEDSA-N
MW144.17 g/mol
LogP0.58
Rot. Bonds1

About (3S)-3-methoxy-4,4-dimethyloxolan-2-one

(3S)-3-methoxy-4,4-dimethyloxolan-2-one (PubChem CID 13407497) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3S)-3-methoxy-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-methoxy-4,4-dimethyloxolan-2-one
PubChem CID13407497
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3S)-3-methoxy-4,4-dimethyloxolan-2-one
SMILESCO[C@@H]1C(=O)OCC1(C)C
InChIInChI=1S/C7H12O3/c1-7(2)4-10-6(8)5(7)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyYAADWXYUBQRRJJ-RXMQYKEDSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-4,4-dimethyloxolan-2-one?
The IUPAC name of (3S)-3-methoxy-4,4-dimethyloxolan-2-one (CID 13407497) is (3S)-3-methoxy-4,4-dimethyloxolan-2-one.
What is the SMILES notation for (3S)-3-methoxy-4,4-dimethyloxolan-2-one?
The canonical SMILES for (3S)-3-methoxy-4,4-dimethyloxolan-2-one is CO[C@@H]1C(=O)OCC1(C)C.
What is the InChIKey of (3S)-3-methoxy-4,4-dimethyloxolan-2-one?
The InChIKey is YAADWXYUBQRRJJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)4-10-6(8)5(7)9-3/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (3S)-3-methoxy-4,4-dimethyloxolan-2-one?
(3S)-3-methoxy-4,4-dimethyloxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 13407497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).