methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate

C11H18O7 — CID 91738411

IUPACmethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OC(C(=O)OC)C1COC(C)(C)O1
InChIInChI=1S/C11H18O7/c1-5-15-10(13)17-8(9(12)14-4)7-6-16-11(2,3)18-7/h7-8H,5-6H2,1-4H3
InChIKeyPFDRISXRXLHFOY-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.85
Rot. Bonds4

About methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate

methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate (PubChem CID 91738411) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate
PubChem CID91738411
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate
SMILESCCOC(=O)OC(C(=O)OC)C1COC(C)(C)O1
InChIInChI=1S/C11H18O7/c1-5-15-10(13)17-8(9(12)14-4)7-6-16-11(2,3)18-7/h7-8H,5-6H2,1-4H3
InChIKeyPFDRISXRXLHFOY-UHFFFAOYSA-N
XLogP0.85
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
CID 95392
(+)-Diacetyl-L-tartaric anhydride
CID 513914
Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853166
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853165
Succinic acid, 2,3-diethoxy-, diethyl ester
CID 96236
Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 641720
(2R,3R)-Dimethyl-2,3-O-isopropylidene tartrate
CID 688155
4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 688156
Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
CID 6544468
2,5-Dioxooxolane-3,4-diyl diacetate
CID 95411
2,3-O-Isopropylidene-D-erythronolactone
CID 386843

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate?
The IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate (CID 91738411) is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate is CCOC(=O)OC(C(=O)OC)C1COC(C)(C)O1.
What is the InChIKey of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate?
The InChIKey is PFDRISXRXLHFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-5-15-10(13)17-8(9(12)14-4)7-6-16-11(2,3)18-7/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate?
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate has a molecular weight of 262.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethoxycarbonyloxyacetate is sourced from PubChem (CID 91738411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).