[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

C16H28O8 — CID 11581061

IUPAC[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESCOC(OC)[C@@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H28O8/c1-9(17)21-11(10-8-20-15(2,3)22-10)12-13(14(18-6)19-7)24-16(4,5)23-12/h10-14H,8H2,1-7H3/t10-,11-,12+,13-/m1/s1
InChIKeyOMYCPRZGDAECHP-FVCCEPFGSA-N
MW348.39 g/mol
LogP1.21
Rot. Bonds6

About [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (PubChem CID 11581061) has the molecular formula C16H28O8 and a molecular weight of 348.39 g/mol. Its IUPAC name is [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.

Molecular Properties

Compound Name[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
PubChem CID11581061
Molecular FormulaC16H28O8
Molecular Weight348.39 g/mol
Exact Mass348.18
IUPAC Name[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESCOC(OC)[C@@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H28O8/c1-9(17)21-11(10-8-20-15(2,3)22-10)12-13(14(18-6)19-7)24-16(4,5)23-12/h10-14H,8H2,1-7H3/t10-,11-,12+,13-/m1/s1
InChIKeyOMYCPRZGDAECHP-FVCCEPFGSA-N
XLogP1.21
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.21
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 [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The IUPAC name of [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (CID 11581061) is [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.
What is the SMILES notation for [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The canonical SMILES for [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is COC(OC)[C@@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The InChIKey is OMYCPRZGDAECHP-FVCCEPFGSA-N. The full InChI is InChI=1S/C16H28O8/c1-9(17)21-11(10-8-20-15(2,3)22-10)12-13(14(18-6)19-7)24-16(4,5)23-12/h10-14H,8H2,1-7H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate has a molecular weight of 348.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is sourced from PubChem (CID 11581061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).