(5S)-5-methyl-6-methylideneoxan-2-one

C7H10O2 — CID 130367981

IUPAC(5S)-5-methyl-6-methylideneoxan-2-one
SMILESC=C1OC(=O)CC[C@@H]1C
InChIInChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyORUYLIQSRYFMKC-YFKPBYRVSA-N
MW126.16 g/mol
LogP1.47
Rot. Bonds

About (5S)-5-methyl-6-methylideneoxan-2-one

(5S)-5-methyl-6-methylideneoxan-2-one (PubChem CID 130367981) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (5S)-5-methyl-6-methylideneoxan-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-6-methylideneoxan-2-one
PubChem CID130367981
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(5S)-5-methyl-6-methylideneoxan-2-one
SMILESC=C1OC(=O)CC[C@@H]1C
InChIInChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyORUYLIQSRYFMKC-YFKPBYRVSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-5-methyl-6-methylideneoxan-2-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 (5S)-5-methyl-6-methylideneoxan-2-one?
The IUPAC name of (5S)-5-methyl-6-methylideneoxan-2-one (CID 130367981) is (5S)-5-methyl-6-methylideneoxan-2-one.
What is the SMILES notation for (5S)-5-methyl-6-methylideneoxan-2-one?
The canonical SMILES for (5S)-5-methyl-6-methylideneoxan-2-one is C=C1OC(=O)CC[C@@H]1C.
What is the InChIKey of (5S)-5-methyl-6-methylideneoxan-2-one?
The InChIKey is ORUYLIQSRYFMKC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-4-7(8)9-6(5)2/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-methyl-6-methylideneoxan-2-one?
(5S)-5-methyl-6-methylideneoxan-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-6-methylideneoxan-2-one is sourced from PubChem (CID 130367981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).