(3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one

C11H16O5 — CID 10911304

IUPAC(3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one
SMILESCOCOC[C@]12OC(C)(C)O[C@H]1C=CC2=O
InChIInChI=1S/C11H16O5/c1-10(2)15-9-5-4-8(12)11(9,16-10)6-14-7-13-3/h4-5,9H,6-7H2,1-3H3/t9-,11+/m0/s1
InChIKeyRTFCFLGPPXOHHD-GXSJLCMTSA-N
MW228.24 g/mol
LogP0.64
Rot. Bonds4

About (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one

(3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one (PubChem CID 10911304) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one
PubChem CID10911304
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one
SMILESCOCOC[C@]12OC(C)(C)O[C@H]1C=CC2=O
InChIInChI=1S/C11H16O5/c1-10(2)15-9-5-4-8(12)11(9,16-10)6-14-7-13-3/h4-5,9H,6-7H2,1-3H3/t9-,11+/m0/s1
InChIKeyRTFCFLGPPXOHHD-GXSJLCMTSA-N
XLogP0.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one (CID 10911304) is (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one is COCOC[C@]12OC(C)(C)O[C@H]1C=CC2=O.
What is the InChIKey of (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one?
The InChIKey is RTFCFLGPPXOHHD-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H16O5/c1-10(2)15-9-5-4-8(12)11(9,16-10)6-14-7-13-3/h4-5,9H,6-7H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one?
(3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one has a molecular weight of 228.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-(methoxymethoxymethyl)-2,2-dimethyl-6aH-cyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 10911304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).