(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

C9H12O4 — CID 134996476

IUPAC(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCOC1=CC(=O)[C@@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C9H12O4/c1-9(2)12-7-5(10)4-6(11-3)8(7)13-9/h4,7-8H,1-3H3/t7-,8-/m0/s1
InChIKeyXJTPCVPFRSLNNZ-YUMQZZPRSA-N
MW184.19 g/mol
LogP0.62
Rot. Bonds1

About (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 134996476) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID134996476
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCOC1=CC(=O)[C@@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C9H12O4/c1-9(2)12-7-5(10)4-6(11-3)8(7)13-9/h4,7-8H,1-3H3/t7-,8-/m0/s1
InChIKeyXJTPCVPFRSLNNZ-YUMQZZPRSA-N
XLogP0.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one
CID 51357884
9-Methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15491394
(3aS,6aS)-2,2,6-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11147943
(3aR,6aR)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11252227
(3aR,6aR)-2,2,6-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 13700994
(6aR)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 57620281
(3aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 57620282
(3aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 57620282

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 134996476) is (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is COC1=CC(=O)[C@@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is XJTPCVPFRSLNNZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H12O4/c1-9(2)12-7-5(10)4-6(11-3)8(7)13-9/h4,7-8H,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 184.19 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 134996476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).