4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one

C11H16O3 — CID 138755863

IUPAC4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
SMILESC=CC1(C)CC(=O)C2OC(C)(C)OC21
InChIInChI=1S/C11H16O3/c1-5-11(4)6-7(12)8-9(11)14-10(2,3)13-8/h5,8-9H,1,6H2,2-4H3
InChIKeyXLLNHHNSFYCDPW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds1

About 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one

4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one (PubChem CID 138755863) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one.

Molecular Properties

Compound Name4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
PubChem CID138755863
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
SMILESC=CC1(C)CC(=O)C2OC(C)(C)OC21
InChIInChI=1S/C11H16O3/c1-5-11(4)6-7(12)8-9(11)14-10(2,3)13-8/h5,8-9H,1,6H2,2-4H3
InChIKeyXLLNHHNSFYCDPW-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one with MolForge

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Related Compounds

(3aR,4R,6aR)-4-ethenyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
CID 164730640
(3aS,6S,6aS)-6-ethenyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10954196
(3aS,4R,6aR)-4-hydroxy-2,2-dimethyl-4-(phenylsulfanylmethyl)-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one
CID 101130625
(3aR,6S,7S,7aR)-7-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-one
CID 153365008
(6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 143329157
(3aR,4S,7S,7aR)-7-hydroxy-2,2,4,7-tetramethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 139081909
(3aS,7R,7aS)-7-hydroxy-2,2,7-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 102026058
(1S,2S,7R,10R,11R,12R,16S)-8,11-bis(ethenyl)-5,5,14,14-tetramethyl-4,6,13,15-tetraoxapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-8,17-diene
CID 135022190
(1R,6S,8R)-8-ethenyl-3,3,8-trimethyl-2-thiabicyclo[4.2.0]octan-5-one
CID 102084882
(1S,2S,7S,10R,12R,13R)-7-hydroxy-12,13-dimethoxy-4,4,12,13-tetramethyl-3,5,11,14-tetraoxatricyclo[8.4.0.02,7]tetradecan-9-one
CID 25099103
(2'S,3aS,4S,6R,6aR)-2'-chloro-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,3'-cyclobutane]-1'-one
CID 163577047
(1S,2R,6S,10S)-4,4,12,12-tetramethyl-3,5,11,13-tetraoxatricyclo[8.3.0.02,6]tridec-8-en-7-one
CID 10858009

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one?
The IUPAC name of 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one (CID 138755863) is 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one.
What is the SMILES notation for 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one?
The canonical SMILES for 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one is C=CC1(C)CC(=O)C2OC(C)(C)OC21.
What is the InChIKey of 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one?
The InChIKey is XLLNHHNSFYCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-11(4)6-7(12)8-9(11)14-10(2,3)13-8/h5,8-9H,1,6H2,2-4H3.
What are the key properties of 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one?
4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,4-trimethyl-5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-one is sourced from PubChem (CID 138755863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).