5-methyl-4-prop-2-enyloxolan-2-one

C8H12O2 — CID 14489431

IUPAC5-methyl-4-prop-2-enyloxolan-2-one
SMILESC=CCC1CC(=O)OC1C
InChIInChI=1S/C8H12O2/c1-3-4-7-5-8(9)10-6(7)2/h3,6-7H,1,4-5H2,2H3
InChIKeyVOYIJUOZRZELKA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-4-prop-2-enyloxolan-2-one

5-methyl-4-prop-2-enyloxolan-2-one (PubChem CID 14489431) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methyl-4-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name5-methyl-4-prop-2-enyloxolan-2-one
PubChem CID14489431
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methyl-4-prop-2-enyloxolan-2-one
SMILESC=CCC1CC(=O)OC1C
InChIInChI=1S/C8H12O2/c1-3-4-7-5-8(9)10-6(7)2/h3,6-7H,1,4-5H2,2H3
InChIKeyVOYIJUOZRZELKA-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
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

5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103
5-bromo-4,6-dimethyloxan-2-one
CID 130020674
(4R,5S)-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]oxolan-2-one
CID 23241156
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
CID 13367846
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
4-prop-2-enyloxan-2-one
CID 10558704
4,5-bis(prop-2-enyl)-1,3-dioxolan-2-one
CID 67427940
4-prop-2-enyl-1,3-dioxetan-2-one
CID 172773496

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-2-enyloxolan-2-one?
The IUPAC name of 5-methyl-4-prop-2-enyloxolan-2-one (CID 14489431) is 5-methyl-4-prop-2-enyloxolan-2-one.
What is the SMILES notation for 5-methyl-4-prop-2-enyloxolan-2-one?
The canonical SMILES for 5-methyl-4-prop-2-enyloxolan-2-one is C=CCC1CC(=O)OC1C.
What is the InChIKey of 5-methyl-4-prop-2-enyloxolan-2-one?
The InChIKey is VOYIJUOZRZELKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-7-5-8(9)10-6(7)2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 5-methyl-4-prop-2-enyloxolan-2-one?
5-methyl-4-prop-2-enyloxolan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-2-enyloxolan-2-one is sourced from PubChem (CID 14489431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).