(2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one

C10H16O3 — CID 144749502

IUPAC(2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one
SMILESCC[C@H](C)[C@@H]1CC=C(OC)C(=O)O1
InChIInChI=1S/C10H16O3/c1-4-7(2)8-5-6-9(12-3)10(11)13-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyOVTICNOTLJSXFP-YUMQZZPRSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds3

About (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one

(2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one (PubChem CID 144749502) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one
PubChem CID144749502
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one
SMILESCC[C@H](C)[C@@H]1CC=C(OC)C(=O)O1
InChIInChI=1S/C10H16O3/c1-4-7(2)8-5-6-9(12-3)10(11)13-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1
InChIKeyOVTICNOTLJSXFP-YUMQZZPRSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one 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)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one (CID 144749502) is (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one is CC[C@H](C)[C@@H]1CC=C(OC)C(=O)O1.
What is the InChIKey of (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
The InChIKey is OVTICNOTLJSXFP-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-7(2)8-5-6-9(12-3)10(11)13-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one?
(2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one has a molecular weight of 184.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-butan-2-yl]-5-methoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 144749502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).