(3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C11H14O3 — CID 102396835

IUPAC(3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=CCO[C@H]1OC[C@@H]2CC(=O)C(C)=C21
InChIInChI=1S/C11H14O3/c1-3-4-13-11-10-7(2)9(12)5-8(10)6-14-11/h3,8,11H,1,4-6H2,2H3/t8-,11-/m0/s1
InChIKeyQTSCTSLRQGJLKL-KWQFWETISA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds3

About (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 102396835) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID102396835
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=CCO[C@H]1OC[C@@H]2CC(=O)C(C)=C21
InChIInChI=1S/C11H14O3/c1-3-4-13-11-10-7(2)9(12)5-8(10)6-14-11/h3,8,11H,1,4-6H2,2H3/t8-,11-/m0/s1
InChIKeyQTSCTSLRQGJLKL-KWQFWETISA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 102396835) is (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is C=CCO[C@H]1OC[C@@H]2CC(=O)C(C)=C21.
What is the InChIKey of (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is QTSCTSLRQGJLKL-KWQFWETISA-N. The full InChI is InChI=1S/C11H14O3/c1-3-4-13-11-10-7(2)9(12)5-8(10)6-14-11/h3,8,11H,1,4-6H2,2H3/t8-,11-/m0/s1.
What are the key properties of (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6aR)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 102396835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).