1-hydroxypropan-2-yl formate

C4H8O3 — CID 22152793

IUPAC1-hydroxypropan-2-yl formate
SMILESCC(CO)OC=O
InChIInChI=1S/C4H8O3/c1-4(2-5)7-3-6/h3-5H,2H2,1H3
InChIKeyYPCKHFAYLAIVCX-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.46
Rot. Bonds3

About 1-hydroxypropan-2-yl formate

1-hydroxypropan-2-yl formate (PubChem CID 22152793) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl formate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl formate
PubChem CID22152793
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name1-hydroxypropan-2-yl formate
SMILESCC(CO)OC=O
InChIInChI=1S/C4H8O3/c1-4(2-5)7-3-6/h3-5H,2H2,1H3
InChIKeyYPCKHFAYLAIVCX-UHFFFAOYSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
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-hydroxypropan-2-yl formate?
The IUPAC name of 1-hydroxypropan-2-yl formate (CID 22152793) is 1-hydroxypropan-2-yl formate.
What is the SMILES notation for 1-hydroxypropan-2-yl formate?
The canonical SMILES for 1-hydroxypropan-2-yl formate is CC(CO)OC=O.
What is the InChIKey of 1-hydroxypropan-2-yl formate?
The InChIKey is YPCKHFAYLAIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-4(2-5)7-3-6/h3-5H,2H2,1H3.
What are the key properties of 1-hydroxypropan-2-yl formate?
1-hydroxypropan-2-yl formate has a molecular weight of 104.11 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl formate is sourced from PubChem (CID 22152793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).