4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

C10H14O4 — CID 130149623

IUPAC4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC(C)=C1C(O)C2CC(=O)OC2C1O
InChIInChI=1S/C10H14O4/c1-4(2)7-8(12)5-3-6(11)14-10(5)9(7)13/h5,8-10,12-13H,3H2,1-2H3
InChIKeyIUTQUYHKVFWXOZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.01
Rot. Bonds

About 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 130149623) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID130149623
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC(C)=C1C(O)C2CC(=O)OC2C1O
InChIInChI=1S/C10H14O4/c1-4(2)7-8(12)5-3-6(11)14-10(5)9(7)13/h5,8-10,12-13H,3H2,1-2H3
InChIKeyIUTQUYHKVFWXOZ-UHFFFAOYSA-N
XLogP-0.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3S,3aR,6R,6aS)-3,6-dihydroxy-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,5-dione
CID 130765315
(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 130757545
6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 170688748
(3aS,6R,6aS)-6-hydroxy-3a,5,6,6a-tetrahydro-3H-thieno[3,2-b]furan-2-one
CID 10702102
7-hydroxy-3,3a,7,7a-tetrahydro-1-benzofuran-2,6-dione
CID 143612632
(1S,2R,6S,7R)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 11040886
(1S,2S,6R,7R)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 11435045
(1R,2S,6R,7S)-3-oxatricyclo[5.2.1.02,6]decan-4-one
CID 45098317
(7R)-7-iodo-4-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 132933654
[(3aR,5R,6S,6aS)-6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10354358
[(3aS,5R,6R,6aR)-6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10890066
6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 85416030

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 130149623) is 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is CC(C)=C1C(O)C2CC(=O)OC2C1O.
What is the InChIKey of 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is IUTQUYHKVFWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4(2)7-8(12)5-3-6(11)14-10(5)9(7)13/h5,8-10,12-13H,3H2,1-2H3.
What are the key properties of 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 198.22 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-5-propan-2-ylidene-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 130149623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).