propan-2-yl 2-methoxycarbonyloxyacetate

C7H12O5 — CID 139642714

IUPACpropan-2-yl 2-methoxycarbonyloxyacetate
SMILESCOC(=O)OCC(=O)OC(C)C
InChIInChI=1S/C7H12O5/c1-5(2)12-6(8)4-11-7(9)10-3/h5H,4H2,1-3H3
InChIKeyZPXDSVKIUBNBCH-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.72
Rot. Bonds3

About propan-2-yl 2-methoxycarbonyloxyacetate

propan-2-yl 2-methoxycarbonyloxyacetate (PubChem CID 139642714) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is propan-2-yl 2-methoxycarbonyloxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-methoxycarbonyloxyacetate
PubChem CID139642714
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Namepropan-2-yl 2-methoxycarbonyloxyacetate
SMILESCOC(=O)OCC(=O)OC(C)C
InChIInChI=1S/C7H12O5/c1-5(2)12-6(8)4-11-7(9)10-3/h5H,4H2,1-3H3
InChIKeyZPXDSVKIUBNBCH-UHFFFAOYSA-N
XLogP0.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
CID 27011161
methyl (3-methyl-2-methylidenebutyl) carbonate
CID 15026489
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
1-O-(2-methoxy-2-oxoethyl) 4-O-propan-2-yl (Z)-2-methylbut-2-enedioate
CID 139903610
4-O-(2-methoxy-2-oxoethyl) 1-O-propan-2-yl (Z)-2-methylbut-2-enedioate
CID 139903707
dipropan-2-yl 2-methoxybutanedioate
CID 139989231
propan-2-yl 2-(2-methylprop-2-enoxy)acetate
CID 15892945
bis((3-oxo-3-propan-2-yloxypropyl)tin(3+));trisulfide
CID 173205238
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
CID 21252463

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methoxycarbonyloxyacetate?
The IUPAC name of propan-2-yl 2-methoxycarbonyloxyacetate (CID 139642714) is propan-2-yl 2-methoxycarbonyloxyacetate.
What is the SMILES notation for propan-2-yl 2-methoxycarbonyloxyacetate?
The canonical SMILES for propan-2-yl 2-methoxycarbonyloxyacetate is COC(=O)OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methoxycarbonyloxyacetate?
The InChIKey is ZPXDSVKIUBNBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-5(2)12-6(8)4-11-7(9)10-3/h5H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-methoxycarbonyloxyacetate?
propan-2-yl 2-methoxycarbonyloxyacetate has a molecular weight of 176.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methoxycarbonyloxyacetate is sourced from PubChem (CID 139642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).