5-ethenyl-4-methyl-3-methylideneoxolan-2-one

C8H10O2 — CID 134967674

IUPAC5-ethenyl-4-methyl-3-methylideneoxolan-2-one
SMILESC=CC1OC(=O)C(=C)C1C
InChIInChI=1S/C8H10O2/c1-4-7-5(2)6(3)8(9)10-7/h4-5,7H,1,3H2,2H3
InChIKeyRWVACINQUFWGRB-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds1

About 5-ethenyl-4-methyl-3-methylideneoxolan-2-one

5-ethenyl-4-methyl-3-methylideneoxolan-2-one (PubChem CID 134967674) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-ethenyl-4-methyl-3-methylideneoxolan-2-one
PubChem CID134967674
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-ethenyl-4-methyl-3-methylideneoxolan-2-one
SMILESC=CC1OC(=O)C(=C)C1C
InChIInChI=1S/C8H10O2/c1-4-7-5(2)6(3)8(9)10-7/h4-5,7H,1,3H2,2H3
InChIKeyRWVACINQUFWGRB-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Anthecotulide
CID 11962174
gamma-Methyl-alpha-methylene-gamma-butyrolactone
CID 99939
alpha-Methylene-beta-methyl-gamma,gamma-dimethyl-gamma-butyrolactone
CID 13999518
(5S)-5-methyl-3-methylideneoxolan-2-one
CID 12303377
(4S)-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-3-methylideneoxolan-2-one
CID 12050675
(5R)-5-methyl-3-methylideneoxolan-2-one
CID 12303376
4-(3,7-Dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one
CID 73154518
(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
(4S,5S)-4-methyl-3-methylidene-5-propan-2-yloxolan-2-one
CID 14812498
(3S,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
CID 10855848
(3R,4S,5S)-4-ethenyl-3-methyl-5-prop-1-en-2-yloxolan-2-one
CID 11789573

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-3-methylideneoxolan-2-one?
The IUPAC name of 5-ethenyl-4-methyl-3-methylideneoxolan-2-one (CID 134967674) is 5-ethenyl-4-methyl-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-ethenyl-4-methyl-3-methylideneoxolan-2-one?
The canonical SMILES for 5-ethenyl-4-methyl-3-methylideneoxolan-2-one is C=CC1OC(=O)C(=C)C1C.
What is the InChIKey of 5-ethenyl-4-methyl-3-methylideneoxolan-2-one?
The InChIKey is RWVACINQUFWGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-7-5(2)6(3)8(9)10-7/h4-5,7H,1,3H2,2H3.
What are the key properties of 5-ethenyl-4-methyl-3-methylideneoxolan-2-one?
5-ethenyl-4-methyl-3-methylideneoxolan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 134967674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).