2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol

C16H32O4 — CID 87071858

IUPAC2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol
SMILESC=C(CCCC)OC(=C)CCCC.OCCOCCO
InChIInChI=1S/C12H22O.C4H10O3/c1-5-7-9-11(3)13-12(4)10-8-6-2;5-1-3-7-4-2-6/h3-10H2,1-2H3;5-6H,1-4H2
InChIKeyNBQPPTSRKTYCTP-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.40
Rot. Bonds12

About 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol

2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol (PubChem CID 87071858) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol
PubChem CID87071858
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol
SMILESC=C(CCCC)OC(=C)CCCC.OCCOCCO
InChIInChI=1S/C12H22O.C4H10O3/c1-5-7-9-11(3)13-12(4)10-8-6-2;5-1-3-7-4-2-6/h3-10H2,1-2H3;5-6H,1-4H2
InChIKeyNBQPPTSRKTYCTP-UHFFFAOYSA-N
XLogP3.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol (CID 87071858) is 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol is C=C(CCCC)OC(=C)CCCC.OCCOCCO.
What is the InChIKey of 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol?
The InChIKey is NBQPPTSRKTYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C4H10O3/c1-5-7-9-11(3)13-12(4)10-8-6-2;5-1-3-7-4-2-6/h3-10H2,1-2H3;5-6H,1-4H2.
What are the key properties of 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol?
2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol has a molecular weight of 288.43 g/mol, XLogP of 3.40, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 87071858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).