3,3-dimethyl-4-methylideneoxolan-2-one

C7H10O2 — CID 12669555

IUPAC3,3-dimethyl-4-methylideneoxolan-2-one
SMILESC=C1COC(=O)C1(C)C
InChIInChI=1S/C7H10O2/c1-5-4-9-6(8)7(5,2)3/h1,4H2,2-3H3
InChIKeyBJHFVXGTXUUQPN-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds

About 3,3-dimethyl-4-methylideneoxolan-2-one

3,3-dimethyl-4-methylideneoxolan-2-one (PubChem CID 12669555) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylideneoxolan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-methylideneoxolan-2-one
PubChem CID12669555
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3,3-dimethyl-4-methylideneoxolan-2-one
SMILESC=C1COC(=O)C1(C)C
InChIInChI=1S/C7H10O2/c1-5-4-9-6(8)7(5,2)3/h1,4H2,2-3H3
InChIKeyBJHFVXGTXUUQPN-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
(3E)-3-(ethoxymethylidene)oxolan-2-one
CID 13587404
4-methyl-3-methylenedihydrofuran-2(3H)-one
CID 10844358
2(3H)-Furanone, dihydro-4,4-dimethyl-3-methylene-
CID 11116068
(3E)-3-(methoxymethylidene)oxolan-2-one
CID 5357962
2(3H)-Furanone, dihydro-4-methylene-
CID 12303360
3-(Difluoromethylidene)-4,4-dimethyloxolan-2-one
CID 12701201
3-Prop-1-enylideneoxolan-2-one
CID 101616262
4,4-Dimethyl-3-(2-oxoethenylidene)oxolan-2-one
CID 134919523
(3E)-3-(fluoromethylidene)-4,4-dimethyloxolan-2-one
CID 24977002
3,3-Dimethyl-4-methylideneoxolane-2,5-dione
CID 20603206

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-methylideneoxolan-2-one?
The IUPAC name of 3,3-dimethyl-4-methylideneoxolan-2-one (CID 12669555) is 3,3-dimethyl-4-methylideneoxolan-2-one.
What is the SMILES notation for 3,3-dimethyl-4-methylideneoxolan-2-one?
The canonical SMILES for 3,3-dimethyl-4-methylideneoxolan-2-one is C=C1COC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-methylideneoxolan-2-one?
The InChIKey is BJHFVXGTXUUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-4-9-6(8)7(5,2)3/h1,4H2,2-3H3.
What are the key properties of 3,3-dimethyl-4-methylideneoxolan-2-one?
3,3-dimethyl-4-methylideneoxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylideneoxolan-2-one is sourced from PubChem (CID 12669555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).