(3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

C10H16O4 — CID 71142535

IUPAC(3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCOC[C@@H]1CC(=O)[C@H]2OC(C)(C)OC12
InChIInChI=1S/C10H16O4/c1-10(2)13-8-6(5-12-3)4-7(11)9(8)14-10/h6,8-9H,4-5H2,1-3H3/t6-,8?,9+/m0/s1
InChIKeyLIZZLHCTZNKZJI-WGQGIHMKSA-N
MW200.23 g/mol
LogP0.74
Rot. Bonds2

About (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

(3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 71142535) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID71142535
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCOC[C@@H]1CC(=O)[C@H]2OC(C)(C)OC12
InChIInChI=1S/C10H16O4/c1-10(2)13-8-6(5-12-3)4-7(11)9(8)14-10/h6,8-9H,4-5H2,1-3H3/t6-,8?,9+/m0/s1
InChIKeyLIZZLHCTZNKZJI-WGQGIHMKSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[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

Frequently Asked Questions

What is the IUPAC name of (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 71142535) is (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is COC[C@@H]1CC(=O)[C@H]2OC(C)(C)OC12.
What is the InChIKey of (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is LIZZLHCTZNKZJI-WGQGIHMKSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)13-8-6(5-12-3)4-7(11)9(8)14-10/h6,8-9H,4-5H2,1-3H3/t6-,8?,9+/m0/s1.
What are the key properties of (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
(3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 200.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S)-6-(methoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 71142535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).