2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol

C12H22O3 — CID 21258651

IUPAC2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
SMILESC=C(OC(=C)C(O)CCC)C(O)CCC
InChIInChI=1S/C12H22O3/c1-5-7-11(13)9(3)15-10(4)12(14)8-6-2/h11-14H,3-8H2,1-2H3
InChIKeyIZRUQCRRTJNWJD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.35
Rot. Bonds8

About 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol

2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol (PubChem CID 21258651) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol.

Molecular Properties

Compound Name2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
PubChem CID21258651
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
SMILESC=C(OC(=C)C(O)CCC)C(O)CCC
InChIInChI=1S/C12H22O3/c1-5-7-11(13)9(3)15-10(4)12(14)8-6-2/h11-14H,3-8H2,1-2H3
InChIKeyIZRUQCRRTJNWJD-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol 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-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol?
The IUPAC name of 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol (CID 21258651) is 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol.
What is the SMILES notation for 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol?
The canonical SMILES for 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol is C=C(OC(=C)C(O)CCC)C(O)CCC.
What is the InChIKey of 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol?
The InChIKey is IZRUQCRRTJNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-7-11(13)9(3)15-10(4)12(14)8-6-2/h11-14H,3-8H2,1-2H3.
What are the key properties of 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol?
2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol has a molecular weight of 214.30 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol is sourced from PubChem (CID 21258651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).