propan-2-yl formate

C4H8O2 — CID 12257

IUPACpropan-2-yl formate
SMILESCC(C)OC=O
InChIInChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
InChIKeyRMOUBSOVHSONPZ-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.57
Rot. Bonds2

About propan-2-yl formate

propan-2-yl formate (PubChem CID 12257) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is propan-2-yl formate.

Molecular Properties

Compound Namepropan-2-yl formate
PubChem CID12257
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Namepropan-2-yl formate
SMILESCC(C)OC=O
InChIInChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
InChIKeyRMOUBSOVHSONPZ-UHFFFAOYSA-N
XLogP0.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl formate?
The IUPAC name of propan-2-yl formate (CID 12257) is propan-2-yl formate.
What is the SMILES notation for propan-2-yl formate?
The canonical SMILES for propan-2-yl formate is CC(C)OC=O.
What is the InChIKey of propan-2-yl formate?
The InChIKey is RMOUBSOVHSONPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3.
What are the key properties of propan-2-yl formate?
propan-2-yl formate has a molecular weight of 88.11 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl formate is sourced from PubChem (CID 12257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).