5-formyloxypentyl acetate

C8H14O4 — CID 87520008

IUPAC5-formyloxypentyl acetate
SMILESCC(=O)OCCCCCOC=O
InChIInChI=1S/C8H14O4/c1-8(10)12-6-4-2-3-5-11-7-9/h7H,2-6H2,1H3
InChIKeyHRHXBSKKTOPXED-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.89
Rot. Bonds7

About 5-formyloxypentyl acetate

5-formyloxypentyl acetate (PubChem CID 87520008) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-formyloxypentyl acetate.

Molecular Properties

Compound Name5-formyloxypentyl acetate
PubChem CID87520008
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name5-formyloxypentyl acetate
SMILESCC(=O)OCCCCCOC=O
InChIInChI=1S/C8H14O4/c1-8(10)12-6-4-2-3-5-11-7-9/h7H,2-6H2,1H3
InChIKeyHRHXBSKKTOPXED-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.89
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'}

Analyze 5-formyloxypentyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-acetyloxyundecyl acetate
CID 87784419
acetic acid;formic acid;hexadecyl formate
CID 173191278
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
4-but-1-enoxybutyl acetate
CID 86593756
butyl 6-formyloxyhexanoate
CID 57230567
8-sulfanyloctyl acetate
CID 19068319
alumane;hexyl acetate
CID 174832794
11-sulfanylundecyl acetate
CID 101045220
8-chlorooctyl acetate
CID 527879
azane;tetradecyl acetate
CID 87432458
CID 162323537
CID 162323537

Frequently Asked Questions

What is the IUPAC name of 5-formyloxypentyl acetate?
The IUPAC name of 5-formyloxypentyl acetate (CID 87520008) is 5-formyloxypentyl acetate.
What is the SMILES notation for 5-formyloxypentyl acetate?
The canonical SMILES for 5-formyloxypentyl acetate is CC(=O)OCCCCCOC=O.
What is the InChIKey of 5-formyloxypentyl acetate?
The InChIKey is HRHXBSKKTOPXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(10)12-6-4-2-3-5-11-7-9/h7H,2-6H2,1H3.
What are the key properties of 5-formyloxypentyl acetate?
5-formyloxypentyl acetate has a molecular weight of 174.20 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyloxypentyl acetate is sourced from PubChem (CID 87520008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).