5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one

C10H14O3 — CID 14214945

IUPAC5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C1C(O)CC2OC(=O)C(C)C12C
InChIInChI=1S/C10H14O3/c1-5-7(11)4-8-10(5,3)6(2)9(12)13-8/h6-8,11H,1,4H2,2-3H3
InChIKeyNEPXRTVSAMVHCD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds

About 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one

5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 14214945) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID14214945
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESC=C1C(O)CC2OC(=O)C(C)C12C
InChIInChI=1S/C10H14O3/c1-5-7(11)4-8-10(5,3)6(2)9(12)13-8/h6-8,11H,1,4H2,2-3H3
InChIKeyNEPXRTVSAMVHCD-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one (CID 14214945) is 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one is C=C1C(O)CC2OC(=O)C(C)C12C.
What is the InChIKey of 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is NEPXRTVSAMVHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-7(11)4-8-10(5,3)6(2)9(12)13-8/h6-8,11H,1,4H2,2-3H3.
What are the key properties of 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,3a-dimethyl-4-methylidene-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 14214945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).