4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one

C10H14O3 — CID 85401090

IUPAC4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
SMILESC=C1C(=O)OC2CC(C)C(CO)C12
InChIInChI=1S/C10H14O3/c1-5-3-8-9(7(5)4-11)6(2)10(12)13-8/h5,7-9,11H,2-4H2,1H3
InChIKeyQKOZXKRVOCCFCG-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds1

About 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one

4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one (PubChem CID 85401090) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
PubChem CID85401090
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
SMILESC=C1C(=O)OC2CC(C)C(CO)C12
InChIInChI=1S/C10H14O3/c1-5-3-8-9(7(5)4-11)6(2)10(12)13-8/h5,7-9,11H,2-4H2,1H3
InChIKeyQKOZXKRVOCCFCG-UHFFFAOYSA-N
XLogP0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Inuviscolide
CID 176489
Zaluzanin C
CID 72646
2-Desoxy-4-epi-pulchellin
CID 10399864
8-Hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
CID 425954
Isozaluzanin C
CID 470970
8-Epiinuviscolide
CID 13817985
(3aS,5S,5aS,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,5,5a,6,7,8a,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
CID 14707715
(3aS,5aS,8R,8aS,9S,9aS)-8,9-dihydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
CID 56931570
(3aR,5aS,8S,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
CID 57398175
[(3aS,5S,6aR,8S,9R,9aR,9bR)-8-acetyloxy-5-hydroxy-3,6-dimethylidene-2-oxo-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[8,7-b]furan-9-yl]methyl acetate
CID 12151095
(3As,6R,6Ar,9R,9As,9Bs)-6,9-Dihydroxy-6,9-Dimethyl-3-Methylenedecahydroazuleno(4,5-B)Furan-2(9Bh)-One
CID 5319198
Florilenalin
CID 442243

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one (CID 85401090) is 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one is C=C1C(=O)OC2CC(C)C(CO)C12.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
The InChIKey is QKOZXKRVOCCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-3-8-9(7(5)4-11)6(2)10(12)13-8/h5,7-9,11H,2-4H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one?
4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one is sourced from PubChem (CID 85401090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).