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

C11H14O3 — CID 11435486

IUPAC(3R,6aS)-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-/m1/s1
InChIKeyQTSCTSLRQGJLKL-LDYMZIIASA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds3

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

(3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11435486) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11435486
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3R,6aS)-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-/m1/s1
InChIKeyQTSCTSLRQGJLKL-LDYMZIIASA-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 (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(1S,7S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-6-one
CID 138979579
(3R,6aS)-3-prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11459420
(3aR,7aR)-2-methoxy-3,3a,4,7a-tetrahydro-2H-1-benzofuran-5-one
CID 46201275
(6aS)-2-ethoxy-6a-(3-oxobutyl)-3,6-dihydro-2H-cyclopenta[b]furan-5-one
CID 101767211
(6aR)-3-ethenoxy-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135056855
(6aR)-3-ethenoxy-4-prop-2-enyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135056856
(6aR)-3-ethenoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135057281
(3R,6S,6aS)-3-[(E)-but-2-enoxy]-6-methyl-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11403259
3-Prop-2-enoxy-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 60096059
6-(Diethoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 142664751
(1S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-6-one
CID 153281918
(1R,4aS)-1-but-3-enoxy-7-methyl-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
CID 10955151

Frequently Asked Questions

What is the IUPAC name of (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11435486) is (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (3R,6aS)-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 (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is QTSCTSLRQGJLKL-LDYMZIIASA-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-/m1/s1.
What are the key properties of (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(3R,6aS)-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 (3R,6aS)-4-methyl-3-prop-2-enoxy-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11435486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).