4-oxohex-5-enyl formate

C7H10O3 — CID 58206573

IUPAC4-oxohex-5-enyl formate
SMILESC=CC(=O)CCCOC=O
InChIInChI=1S/C7H10O3/c1-2-7(9)4-3-5-10-6-8/h2,6H,1,3-5H2
InChIKeyQGJBATTWNRIEKO-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.69
Rot. Bonds6

About 4-oxohex-5-enyl formate

4-oxohex-5-enyl formate (PubChem CID 58206573) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-oxohex-5-enyl formate.

Molecular Properties

Compound Name4-oxohex-5-enyl formate
PubChem CID58206573
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-oxohex-5-enyl formate
SMILESC=CC(=O)CCCOC=O
InChIInChI=1S/C7H10O3/c1-2-7(9)4-3-5-10-6-8/h2,6H,1,3-5H2
InChIKeyQGJBATTWNRIEKO-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxohex-5-enyl formate?
The IUPAC name of 4-oxohex-5-enyl formate (CID 58206573) is 4-oxohex-5-enyl formate.
What is the SMILES notation for 4-oxohex-5-enyl formate?
The canonical SMILES for 4-oxohex-5-enyl formate is C=CC(=O)CCCOC=O.
What is the InChIKey of 4-oxohex-5-enyl formate?
The InChIKey is QGJBATTWNRIEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(9)4-3-5-10-6-8/h2,6H,1,3-5H2.
What are the key properties of 4-oxohex-5-enyl formate?
4-oxohex-5-enyl formate has a molecular weight of 142.15 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxohex-5-enyl formate is sourced from PubChem (CID 58206573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).