(5-formyloxy-3-methylpentyl) formate

C8H14O4 — CID 91318391

IUPAC(5-formyloxy-3-methylpentyl) formate
SMILESCC(CCOC=O)CCOC=O
InChIInChI=1S/C8H14O4/c1-8(2-4-11-6-9)3-5-12-7-10/h6-8H,2-5H2,1H3
InChIKeyUPDHLZUGYCXVGR-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.75
Rot. Bonds8

About (5-formyloxy-3-methylpentyl) formate

(5-formyloxy-3-methylpentyl) formate (PubChem CID 91318391) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (5-formyloxy-3-methylpentyl) formate.

Molecular Properties

Compound Name(5-formyloxy-3-methylpentyl) formate
PubChem CID91318391
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(5-formyloxy-3-methylpentyl) formate
SMILESCC(CCOC=O)CCOC=O
InChIInChI=1S/C8H14O4/c1-8(2-4-11-6-9)3-5-12-7-10/h6-8H,2-5H2,1H3
InChIKeyUPDHLZUGYCXVGR-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.75
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-formyloxy-3-methylpentyl) formate 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

(4-cyano-3-methylbutyl) formate
CID 88524019
3,4,5-trimethylhexyl formate
CID 87470323
3-methylpent-4-enyl formate
CID 54050128
3-(2-hydroxyethoxy)butyl formate
CID 88906039
4-fluoropentyl formate
CID 87282632
aniline;3,7-dimethyloct-6-enyl formate
CID 174848880
3-fluorohexyl formate
CID 138725705
3-ethylheptyl formate
CID 174415857
(3-formyloxy-4-methylsulfanylbutyl) formate
CID 167494264
3-aminopropyl formate;propan-2-amine
CID 175555477
2-trimethylsilyloxyethyl formate
CID 14530384
2-bromoethyl formate;ethane
CID 143917074

Frequently Asked Questions

What is the IUPAC name of (5-formyloxy-3-methylpentyl) formate?
The IUPAC name of (5-formyloxy-3-methylpentyl) formate (CID 91318391) is (5-formyloxy-3-methylpentyl) formate.
What is the SMILES notation for (5-formyloxy-3-methylpentyl) formate?
The canonical SMILES for (5-formyloxy-3-methylpentyl) formate is CC(CCOC=O)CCOC=O.
What is the InChIKey of (5-formyloxy-3-methylpentyl) formate?
The InChIKey is UPDHLZUGYCXVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2-4-11-6-9)3-5-12-7-10/h6-8H,2-5H2,1H3.
What are the key properties of (5-formyloxy-3-methylpentyl) formate?
(5-formyloxy-3-methylpentyl) formate has a molecular weight of 174.20 g/mol, XLogP of 0.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyloxy-3-methylpentyl) formate is sourced from PubChem (CID 91318391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).