1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

C9H12O3 — CID 556724

IUPAC1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1CCC2C(=O)OC(OC)C12
InChIInChI=1S/C9H12O3/c1-5-3-4-6-7(5)9(11-2)12-8(6)10/h6-7,9H,1,3-4H2,2H3
InChIKeyDFVVNXIDCVNGDJ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.10
Rot. Bonds1

About 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one

1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (PubChem CID 556724) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
PubChem CID556724
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
SMILESC=C1CCC2C(=O)OC(OC)C12
InChIInChI=1S/C9H12O3/c1-5-3-4-6-7(5)9(11-2)12-8(6)10/h6-7,9H,1,3-4H2,2H3
InChIKeyDFVVNXIDCVNGDJ-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.10
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

3-Oxabicyclo[3.3.0]octan-2-one, 6-methylene
CID 556708
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-
CID 564525
(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 15933477
2(3H)-Furanone, 4,5-dihydro-5-methoxy-4-(2-methyl-3-methylene-1-buten-4-yl)-
CID 535145
3-Oxabicyclo[3.3.0]octan-2-one, 4-methoxy-7-methylene-
CID 556374
3-Oxabicyclo[3.3.0]octan-2-one, 6-methylene-7-methyl-
CID 556538
3-Oxabicyclo[3.3.0]octan-2-one, 7-isopropylidene-4-methoxy-, trans-
CID 564659
3-Oxabicyclo[3.3.0]oct-7-en-2-one, 4-methoxy-7-methyl-, trans-
CID 573006
3a-Methyl-5-methylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
CID 23392231
1-methyl-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
CID 23392480
(3aS*,6aR*)-5-Methylidene-hexahydro-cyclopenta[c]furan-1-one
CID 53799970
(1S,3aR,6aS)-1-methyl-5-methylidene-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-one
CID 57121813

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The IUPAC name of 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one (CID 556724) is 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one.
What is the SMILES notation for 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The canonical SMILES for 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is C=C1CCC2C(=O)OC(OC)C12.
What is the InChIKey of 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
The InChIKey is DFVVNXIDCVNGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-3-4-6-7(5)9(11-2)12-8(6)10/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one?
1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one has a molecular weight of 168.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-3-one is sourced from PubChem (CID 556724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).