4,4-dimethyl-3-prop-2-enoxyoxolan-2-one

C9H14O3 — CID 11528420

IUPAC4,4-dimethyl-3-prop-2-enoxyoxolan-2-one
SMILESC=CCOC1C(=O)OCC1(C)C
InChIInChI=1S/C9H14O3/c1-4-5-11-7-8(10)12-6-9(7,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyLNLYQBPNJCZCCU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds3

About 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one

4,4-dimethyl-3-prop-2-enoxyoxolan-2-one (PubChem CID 11528420) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-prop-2-enoxyoxolan-2-one
PubChem CID11528420
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4,4-dimethyl-3-prop-2-enoxyoxolan-2-one
SMILESC=CCOC1C(=O)OCC1(C)C
InChIInChI=1S/C9H14O3/c1-4-5-11-7-8(10)12-6-9(7,2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyLNLYQBPNJCZCCU-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
CID 2794997
(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one
CID 11116295
3-Prop-2-enoxyoxolan-2-one
CID 15319023
(S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl acrylate
CID 737020
Acrylic acid 4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester
CID 3529221
Mszkoxuhbofxso-uhfffaoysa-
CID 21572883
2-Methacryloyloxyacetoxy-3,3-dimethyl-gamma-butyrolactone
CID 20776609
4,4-Dimethyl-2-oxotetrahydrofuran-3-yl methacrylate
CID 21863695
(3-Methyl-2-oxooxolan-3-yl) prop-2-enoate
CID 21889430
(3,4,4-Trimethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 22228798
(4-Methyl-2-oxooxolan-3-yl) prop-2-enoate
CID 22650058
[2-(3-Methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 57760065

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one?
The IUPAC name of 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one (CID 11528420) is 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one.
What is the SMILES notation for 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one?
The canonical SMILES for 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one is C=CCOC1C(=O)OCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one?
The InChIKey is LNLYQBPNJCZCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-5-11-7-8(10)12-6-9(7,2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one?
4,4-dimethyl-3-prop-2-enoxyoxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-prop-2-enoxyoxolan-2-one is sourced from PubChem (CID 11528420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).