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

C14H24O5 — CID 129184903

IUPACmethyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(C)(C)C[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O5/c1-13(2)7-9(10(18-13)6-12(15)16-5)11-8-17-14(3,4)19-11/h9-11H,6-8H2,1-5H3/t9-,10+,11+/m0/s1
InChIKeyOMDDSDJRYMSTHQ-HBNTYKKESA-N
MW272.34 g/mol
LogP1.88
Rot. Bonds3

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

methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate (PubChem CID 129184903) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate
PubChem CID129184903
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(C)(C)C[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O5/c1-13(2)7-9(10(18-13)6-12(15)16-5)11-8-17-14(3,4)19-11/h9-11H,6-8H2,1-5H3/t9-,10+,11+/m0/s1
InChIKeyOMDDSDJRYMSTHQ-HBNTYKKESA-N
XLogP1.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate (CID 129184903) is methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate is COC(=O)C[C@H]1OC(C)(C)C[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate?
The InChIKey is OMDDSDJRYMSTHQ-HBNTYKKESA-N. The full InChI is InChI=1S/C14H24O5/c1-13(2)7-9(10(18-13)6-12(15)16-5)11-8-17-14(3,4)19-11/h9-11H,6-8H2,1-5H3/t9-,10+,11+/m0/s1.
What are the key properties of methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate?
methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate has a molecular weight of 272.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5,5-dimethyloxolan-2-yl]acetate is sourced from PubChem (CID 129184903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).