1-formyloxypropyl formate

C5H8O4 — CID 90964252

IUPAC1-formyloxypropyl formate
SMILESCCC(OC=O)OC=O
InChIInChI=1S/C5H8O4/c1-2-5(8-3-6)9-4-7/h3-5H,2H2,1H3
InChIKeyLNZPVIANZNJFRC-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.07
Rot. Bonds5

About 1-formyloxypropyl formate

1-formyloxypropyl formate (PubChem CID 90964252) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 1-formyloxypropyl formate.

Molecular Properties

Compound Name1-formyloxypropyl formate
PubChem CID90964252
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name1-formyloxypropyl formate
SMILESCCC(OC=O)OC=O
InChIInChI=1S/C5H8O4/c1-2-5(8-3-6)9-4-7/h3-5H,2H2,1H3
InChIKeyLNZPVIANZNJFRC-UHFFFAOYSA-N
XLogP0.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.07
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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Related Compounds

1-Methoxyethyl formate
CID 21596795
1-Ethoxyethyl formate
CID 21596796
1-Ethoxypropyl formate
CID 21596797
1-Formyloxybutyl formate
CID 54492445
2-Formyloxypropan-2-yl formate
CID 59185551
Carbonic acid;1,1-dimethoxyethane
CID 17956840
Bis(1-methoxypropyl) carbonate
CID 18999246
2-Methylpropoxycarbonyl formate
CID 20708629
1-Methoxypropyl hydrogen carbonate
CID 21071316
Ethyl 1-methylperoxyethyl carbonate
CID 21355719
1-Methoxyethyl methyl carbonate
CID 21838934
1-(1-Propoxyethoxy)ethyl formate
CID 23021487

Frequently Asked Questions

What is the IUPAC name of 1-formyloxypropyl formate?
The IUPAC name of 1-formyloxypropyl formate (CID 90964252) is 1-formyloxypropyl formate.
What is the SMILES notation for 1-formyloxypropyl formate?
The canonical SMILES for 1-formyloxypropyl formate is CCC(OC=O)OC=O.
What is the InChIKey of 1-formyloxypropyl formate?
The InChIKey is LNZPVIANZNJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-2-5(8-3-6)9-4-7/h3-5H,2H2,1H3.
What are the key properties of 1-formyloxypropyl formate?
1-formyloxypropyl formate has a molecular weight of 132.12 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyloxypropyl formate is sourced from PubChem (CID 90964252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).