1-methoxypropan-2-yl formate

C5H10O3 — CID 21221120

IUPAC1-methoxypropan-2-yl formate
SMILESCOCC(C)OC=O
InChIInChI=1S/C5H10O3/c1-5(3-7-2)8-4-6/h4-5H,3H2,1-2H3
InChIKeyVIOQEHXYEOORLQ-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.19
Rot. Bonds4

About 1-methoxypropan-2-yl formate

1-methoxypropan-2-yl formate (PubChem CID 21221120) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-methoxypropan-2-yl formate.

Molecular Properties

Compound Name1-methoxypropan-2-yl formate
PubChem CID21221120
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1-methoxypropan-2-yl formate
SMILESCOCC(C)OC=O
InChIInChI=1S/C5H10O3/c1-5(3-7-2)8-4-6/h4-5H,3H2,1-2H3
InChIKeyVIOQEHXYEOORLQ-UHFFFAOYSA-N
XLogP0.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl formate?
The IUPAC name of 1-methoxypropan-2-yl formate (CID 21221120) is 1-methoxypropan-2-yl formate.
What is the SMILES notation for 1-methoxypropan-2-yl formate?
The canonical SMILES for 1-methoxypropan-2-yl formate is COCC(C)OC=O.
What is the InChIKey of 1-methoxypropan-2-yl formate?
The InChIKey is VIOQEHXYEOORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(3-7-2)8-4-6/h4-5H,3H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl formate?
1-methoxypropan-2-yl formate has a molecular weight of 118.13 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl formate is sourced from PubChem (CID 21221120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).