methyl 2-(4-ethenyloxolan-3-ylidene)acetate

C9H12O3 — CID 72725815

IUPACmethyl 2-(4-ethenyloxolan-3-ylidene)acetate
SMILESC=CC1COCC1=CC(=O)OC
InChIInChI=1S/C9H12O3/c1-3-7-5-12-6-8(7)4-9(10)11-2/h3-4,7H,1,5-6H2,2H3
InChIKeySVVPHLHBCSIAES-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.92
Rot. Bonds2

About methyl 2-(4-ethenyloxolan-3-ylidene)acetate

methyl 2-(4-ethenyloxolan-3-ylidene)acetate (PubChem CID 72725815) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is methyl 2-(4-ethenyloxolan-3-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethenyloxolan-3-ylidene)acetate
PubChem CID72725815
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namemethyl 2-(4-ethenyloxolan-3-ylidene)acetate
SMILESC=CC1COCC1=CC(=O)OC
InChIInChI=1S/C9H12O3/c1-3-7-5-12-6-8(7)4-9(10)11-2/h3-4,7H,1,5-6H2,2H3
InChIKeySVVPHLHBCSIAES-UHFFFAOYSA-N
XLogP0.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Lyratyl acetate
CID 6427141
Alpha,beta-acariolide
CID 11041080
(S,E)-2,5-Dimethyl-4-vinylhexa-2,5-dien-1-yl acetate
CID 91710264
3-[(1Z)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10953862
3-[(1E)-4-methylpenta-1,3-dienyl]-2H-furan-5-one
CID 10986587
4-Ethyl-2(5H)-furanone
CID 12224251
3-Hexenyl 3-methylisocrotonate
CID 6436994
5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate
CID 15512841
4-(Propan-2-yl)-2,5-dihydrofuran-2-one
CID 12588986
2,6-Octadienoic acid, 3,7-dimethyl-, 2(or 3)-methylbutyl ester
CID 6437450

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethenyloxolan-3-ylidene)acetate?
The IUPAC name of methyl 2-(4-ethenyloxolan-3-ylidene)acetate (CID 72725815) is methyl 2-(4-ethenyloxolan-3-ylidene)acetate.
What is the SMILES notation for methyl 2-(4-ethenyloxolan-3-ylidene)acetate?
The canonical SMILES for methyl 2-(4-ethenyloxolan-3-ylidene)acetate is C=CC1COCC1=CC(=O)OC.
What is the InChIKey of methyl 2-(4-ethenyloxolan-3-ylidene)acetate?
The InChIKey is SVVPHLHBCSIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-7-5-12-6-8(7)4-9(10)11-2/h3-4,7H,1,5-6H2,2H3.
What are the key properties of methyl 2-(4-ethenyloxolan-3-ylidene)acetate?
methyl 2-(4-ethenyloxolan-3-ylidene)acetate has a molecular weight of 168.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethenyloxolan-3-ylidene)acetate is sourced from PubChem (CID 72725815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).