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

C14H24O6 — CID 146259174

IUPACmethyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(C)(C)C(O)C1C1COC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-13(2)12(16)11(8(19-13)6-10(15)17-5)9-7-18-14(3,4)20-9/h8-9,11-12,16H,6-7H2,1-5H3/t8-,9?,11?,12?/m1/s1
InChIKeyGSMRJOPGOAQKLY-NVGMAVIKSA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds3

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

methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate (PubChem CID 146259174) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate
PubChem CID146259174
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namemethyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate
SMILESCOC(=O)C[C@H]1OC(C)(C)C(O)C1C1COC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-13(2)12(16)11(8(19-13)6-10(15)17-5)9-7-18-14(3,4)20-9/h8-9,11-12,16H,6-7H2,1-5H3/t8-,9?,11?,12?/m1/s1
InChIKeyGSMRJOPGOAQKLY-NVGMAVIKSA-N
XLogP0.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate (CID 146259174) is methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate is COC(=O)C[C@H]1OC(C)(C)C(O)C1C1COC(C)(C)O1.
What is the InChIKey of methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate?
The InChIKey is GSMRJOPGOAQKLY-NVGMAVIKSA-N. The full InChI is InChI=1S/C14H24O6/c1-13(2)12(16)11(8(19-13)6-10(15)17-5)9-7-18-14(3,4)20-9/h8-9,11-12,16H,6-7H2,1-5H3/t8-,9?,11?,12?/m1/s1.
What are the key properties of methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate?
methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate has a molecular weight of 288.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5,5-dimethyloxolan-2-yl]acetate is sourced from PubChem (CID 146259174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).