3-formyloxybutyl formate

C6H10O4 — CID 524828

IUPAC3-formyloxybutyl formate
SMILESCC(CCOC=O)OC=O
InChIInChI=1S/C6H10O4/c1-6(10-5-8)2-3-9-4-7/h4-6H,2-3H2,1H3
InChIKeyAAEDMUBUSKPAOR-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.11
Rot. Bonds6

About 3-formyloxybutyl formate

3-formyloxybutyl formate (PubChem CID 524828) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3-formyloxybutyl formate.

Molecular Properties

Compound Name3-formyloxybutyl formate
PubChem CID524828
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name3-formyloxybutyl formate
SMILESCC(CCOC=O)OC=O
InChIInChI=1S/C6H10O4/c1-6(10-5-8)2-3-9-4-7/h4-6H,2-3H2,1H3
InChIKeyAAEDMUBUSKPAOR-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formyloxybutyl formate?
The IUPAC name of 3-formyloxybutyl formate (CID 524828) is 3-formyloxybutyl formate.
What is the SMILES notation for 3-formyloxybutyl formate?
The canonical SMILES for 3-formyloxybutyl formate is CC(CCOC=O)OC=O.
What is the InChIKey of 3-formyloxybutyl formate?
The InChIKey is AAEDMUBUSKPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(10-5-8)2-3-9-4-7/h4-6H,2-3H2,1H3.
What are the key properties of 3-formyloxybutyl formate?
3-formyloxybutyl formate has a molecular weight of 146.14 g/mol, XLogP of 0.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyloxybutyl formate is sourced from PubChem (CID 524828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).