2-formyloxypropan-2-yl acetate

C6H10O4 — CID 14816424

IUPAC2-formyloxypropan-2-yl acetate
SMILESCC(=O)OC(C)(C)OC=O
InChIInChI=1S/C6H10O4/c1-5(8)10-6(2,3)9-4-7/h4H,1-3H3
InChIKeyGOACJMNVJMXQHQ-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.46
Rot. Bonds3

About 2-formyloxypropan-2-yl acetate

2-formyloxypropan-2-yl acetate (PubChem CID 14816424) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-formyloxypropan-2-yl acetate.

Molecular Properties

Compound Name2-formyloxypropan-2-yl acetate
PubChem CID14816424
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-formyloxypropan-2-yl acetate
SMILESCC(=O)OC(C)(C)OC=O
InChIInChI=1S/C6H10O4/c1-5(8)10-6(2,3)9-4-7/h4H,1-3H3
InChIKeyGOACJMNVJMXQHQ-UHFFFAOYSA-N
XLogP0.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-formyloxypropan-2-yl acetate?
The IUPAC name of 2-formyloxypropan-2-yl acetate (CID 14816424) is 2-formyloxypropan-2-yl acetate.
What is the SMILES notation for 2-formyloxypropan-2-yl acetate?
The canonical SMILES for 2-formyloxypropan-2-yl acetate is CC(=O)OC(C)(C)OC=O.
What is the InChIKey of 2-formyloxypropan-2-yl acetate?
The InChIKey is GOACJMNVJMXQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-5(8)10-6(2,3)9-4-7/h4H,1-3H3.
What are the key properties of 2-formyloxypropan-2-yl acetate?
2-formyloxypropan-2-yl acetate has a molecular weight of 146.14 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxypropan-2-yl acetate is sourced from PubChem (CID 14816424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).