2-methoxypropan-2-yl 3-hydroxypropanoate

C7H14O4 — CID 88855953

IUPAC2-methoxypropan-2-yl 3-hydroxypropanoate
SMILESCOC(C)(C)OC(=O)CCO
InChIInChI=1S/C7H14O4/c1-7(2,10-3)11-6(9)4-5-8/h8H,4-5H2,1-3H3
InChIKeyNZAJQUBVUXAJNE-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.29
Rot. Bonds4

About 2-methoxypropan-2-yl 3-hydroxypropanoate

2-methoxypropan-2-yl 3-hydroxypropanoate (PubChem CID 88855953) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-methoxypropan-2-yl 3-hydroxypropanoate.

Molecular Properties

Compound Name2-methoxypropan-2-yl 3-hydroxypropanoate
PubChem CID88855953
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-methoxypropan-2-yl 3-hydroxypropanoate
SMILESCOC(C)(C)OC(=O)CCO
InChIInChI=1S/C7H14O4/c1-7(2,10-3)11-6(9)4-5-8/h8H,4-5H2,1-3H3
InChIKeyNZAJQUBVUXAJNE-UHFFFAOYSA-N
XLogP0.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-methoxypropan-2-yl 3-hydroxypropanoate?
The IUPAC name of 2-methoxypropan-2-yl 3-hydroxypropanoate (CID 88855953) is 2-methoxypropan-2-yl 3-hydroxypropanoate.
What is the SMILES notation for 2-methoxypropan-2-yl 3-hydroxypropanoate?
The canonical SMILES for 2-methoxypropan-2-yl 3-hydroxypropanoate is COC(C)(C)OC(=O)CCO.
What is the InChIKey of 2-methoxypropan-2-yl 3-hydroxypropanoate?
The InChIKey is NZAJQUBVUXAJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(2,10-3)11-6(9)4-5-8/h8H,4-5H2,1-3H3.
What are the key properties of 2-methoxypropan-2-yl 3-hydroxypropanoate?
2-methoxypropan-2-yl 3-hydroxypropanoate has a molecular weight of 162.18 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-yl 3-hydroxypropanoate is sourced from PubChem (CID 88855953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).