4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C10H14O2 — CID 143243621

IUPAC4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESC=CC1CC(C)C2COC(=O)C12
InChIInChI=1S/C10H14O2/c1-3-7-4-6(2)8-5-12-10(11)9(7)8/h3,6-9H,1,4-5H2,2H3
InChIKeyRRKRVEONBAFOJV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.62
Rot. Bonds1

About 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 143243621) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID143243621
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESC=CC1CC(C)C2COC(=O)C12
InChIInChI=1S/C10H14O2/c1-3-7-4-6(2)8-5-12-10(11)9(7)8/h3,6-9H,1,4-5H2,2H3
InChIKeyRRKRVEONBAFOJV-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one with MolForge

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Launch Full Analysis

Related Compounds

826-62-0
CID 13223
Carbic anhydride
CID 2723766
Ethyl 5-norbornene-2-carboxylate
CID 24986
Himic anhydride
CID 637794
(3R,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 10820951
(3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-2-one
CID 15449321
3a,4,7,7a-Tetrahydro-4,7-methano-2-benzofuran-1(3H)-one
CID 262983
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-formyl-, ethyl ester
CID 112213
(2r,6s)-4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 75977
Butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15608148
3a,4,7,7a-Tetrahydro-8-methyl-4,7-methanoisobenzofuran-1,3-dione
CID 20624593
cis-5-Norbornene-endo-2,3-dicarboxylic anhydride
CID 9964188

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 143243621) is 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is C=CC1CC(C)C2COC(=O)C12.
What is the InChIKey of 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is RRKRVEONBAFOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-7-4-6(2)8-5-12-10(11)9(7)8/h3,6-9H,1,4-5H2,2H3.
What are the key properties of 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 143243621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).