1,2,6-tris(prop-2-enoxy)hexane

C15H26O3 — CID 23117524

IUPAC1,2,6-tris(prop-2-enoxy)hexane
SMILESC=CCOCCCCC(COCC=C)OCC=C
InChIInChI=1S/C15H26O3/c1-4-10-16-13-8-7-9-15(18-12-6-3)14-17-11-5-2/h4-6,15H,1-3,7-14H2
InChIKeyHTIWUBBMEBZOGW-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.13
Rot. Bonds14

About 1,2,6-tris(prop-2-enoxy)hexane

1,2,6-tris(prop-2-enoxy)hexane (PubChem CID 23117524) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,2,6-tris(prop-2-enoxy)hexane.

Molecular Properties

Compound Name1,2,6-tris(prop-2-enoxy)hexane
PubChem CID23117524
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1,2,6-tris(prop-2-enoxy)hexane
SMILESC=CCOCCCCC(COCC=C)OCC=C
InChIInChI=1S/C15H26O3/c1-4-10-16-13-8-7-9-15(18-12-6-3)14-17-11-5-2/h4-6,15H,1-3,7-14H2
InChIKeyHTIWUBBMEBZOGW-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,6-tris(prop-2-enoxy)hexane 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

Allyloxymethyltetrahydrofuran
CID 12506355
d-Sorbitol hexaallyl ether
CID 22825851
1,3-Bis(prop-2-enoxy)cyclohexane
CID 135037802
2-(4-Prop-2-enoxybutyl)oxirane
CID 20396203
(1s,2s)-1,2-Bis(prop-2-en-1-yloxy)cyclohexane
CID 12317525
3-[2,3,4-Tris-allyloxy-1-(1,2-bis-allyloxy-ethyl)-butoxy]-propene
CID 73998917
trans-(1R,2R)-1,2-bis(prop-2-enoxy)cyclohexane
CID 101917358
(1s,2s)-1,2-Bis(prop-2-en-1-yloxy)cyclopentane
CID 134158736
6-Prop-2-enoxyhexane-1,2-diol
CID 10397275
Cyclohexane, 1,3,5-tris(2-propenyloxy)-
CID 11572390
1,2-Bis(prop-2-enoxy)cyclohexane
CID 12317524
5,6-Bis(prop-2-enoxy)hexan-1-ol
CID 17879049

Frequently Asked Questions

What is the IUPAC name of 1,2,6-tris(prop-2-enoxy)hexane?
The IUPAC name of 1,2,6-tris(prop-2-enoxy)hexane (CID 23117524) is 1,2,6-tris(prop-2-enoxy)hexane.
What is the SMILES notation for 1,2,6-tris(prop-2-enoxy)hexane?
The canonical SMILES for 1,2,6-tris(prop-2-enoxy)hexane is C=CCOCCCCC(COCC=C)OCC=C.
What is the InChIKey of 1,2,6-tris(prop-2-enoxy)hexane?
The InChIKey is HTIWUBBMEBZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-10-16-13-8-7-9-15(18-12-6-3)14-17-11-5-2/h4-6,15H,1-3,7-14H2.
What are the key properties of 1,2,6-tris(prop-2-enoxy)hexane?
1,2,6-tris(prop-2-enoxy)hexane has a molecular weight of 254.37 g/mol, XLogP of 3.13, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-tris(prop-2-enoxy)hexane is sourced from PubChem (CID 23117524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).