(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

C14H22O6 — CID 134251166

IUPAC(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC[C@]12OC(C)(C)O[C@H]1[C@@H]([C@H]1COC(C)(C)O1)OC2=O
InChIInChI=1S/C14H22O6/c1-6-14-10(19-13(4,5)20-14)9(17-11(14)15)8-7-16-12(2,3)18-8/h8-10H,6-7H2,1-5H3/t8-,9-,10+,14+/m1/s1
InChIKeyWWALNHGDHXHYSS-RBQUTUCGSA-N
MW286.32 g/mol
LogP1.36
Rot. Bonds2

About (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 134251166) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID134251166
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC[C@]12OC(C)(C)O[C@H]1[C@@H]([C@H]1COC(C)(C)O1)OC2=O
InChIInChI=1S/C14H22O6/c1-6-14-10(19-13(4,5)20-14)9(17-11(14)15)8-7-16-12(2,3)18-8/h8-10H,6-7H2,1-5H3/t8-,9-,10+,14+/m1/s1
InChIKeyWWALNHGDHXHYSS-RBQUTUCGSA-N
XLogP1.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 134251166) is (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC[C@]12OC(C)(C)O[C@H]1[C@@H]([C@H]1COC(C)(C)O1)OC2=O.
What is the InChIKey of (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is WWALNHGDHXHYSS-RBQUTUCGSA-N. The full InChI is InChI=1S/C14H22O6/c1-6-14-10(19-13(4,5)20-14)9(17-11(14)15)8-7-16-12(2,3)18-8/h8-10H,6-7H2,1-5H3/t8-,9-,10+,14+/m1/s1.
What are the key properties of (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 286.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3a-ethyl-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 134251166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).