(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one

C16H26O8 — CID 10593667

IUPAC(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one
SMILESCOC1(OC)C[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C16H26O8/c1-14(2)20-8-10(22-14)12-11(23-15(3,4)24-12)9-7-16(18-5,19-6)13(17)21-9/h9-12H,7-8H2,1-6H3/t9-,10-,11-,12-/m1/s1
InChIKeyBBFVRBCAEGTCDF-DDHJBXDOSA-N
MW346.38 g/mol
LogP0.96
Rot. Bonds4

About (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one

(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one (PubChem CID 10593667) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one
PubChem CID10593667
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one
SMILESCOC1(OC)C[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)OC1=O
InChIInChI=1S/C16H26O8/c1-14(2)20-8-10(22-14)12-11(23-15(3,4)24-12)9-7-16(18-5,19-6)13(17)21-9/h9-12H,7-8H2,1-6H3/t9-,10-,11-,12-/m1/s1
InChIKeyBBFVRBCAEGTCDF-DDHJBXDOSA-N
XLogP0.96
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one?
The IUPAC name of (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one (CID 10593667) is (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one.
What is the SMILES notation for (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one?
The canonical SMILES for (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one is COC1(OC)C[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)OC1=O.
What is the InChIKey of (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one?
The InChIKey is BBFVRBCAEGTCDF-DDHJBXDOSA-N. The full InChI is InChI=1S/C16H26O8/c1-14(2)20-8-10(22-14)12-11(23-15(3,4)24-12)9-7-16(18-5,19-6)13(17)21-9/h9-12H,7-8H2,1-6H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one?
(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one has a molecular weight of 346.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethoxyoxolan-2-one is sourced from PubChem (CID 10593667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).