(4R)-4-methyl-3-methylideneoxolan-2-one

C6H8O2 — CID 11815838

IUPAC(4R)-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1C
InChIInChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyZFHFDZCWLKLJPP-BYPYZUCNSA-N
MW112.13 g/mol
LogP0.74
Rot. Bonds

About (4R)-4-methyl-3-methylideneoxolan-2-one

(4R)-4-methyl-3-methylideneoxolan-2-one (PubChem CID 11815838) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (4R)-4-methyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-methylideneoxolan-2-one
PubChem CID11815838
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(4R)-4-methyl-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1C
InChIInChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyZFHFDZCWLKLJPP-BYPYZUCNSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-methylideneoxolan-2-one?
The IUPAC name of (4R)-4-methyl-3-methylideneoxolan-2-one (CID 11815838) is (4R)-4-methyl-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R)-4-methyl-3-methylideneoxolan-2-one?
The canonical SMILES for (4R)-4-methyl-3-methylideneoxolan-2-one is C=C1C(=O)OC[C@@H]1C.
What is the InChIKey of (4R)-4-methyl-3-methylideneoxolan-2-one?
The InChIKey is ZFHFDZCWLKLJPP-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (4R)-4-methyl-3-methylideneoxolan-2-one?
(4R)-4-methyl-3-methylideneoxolan-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 11815838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).