6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol

C12H18O3 — CID 175565184

IUPAC6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol
SMILESOCCCC=C=COC=C=CCCCO
InChIInChI=1S/C12H18O3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h3-4,11-14H,1-2,5-6,9-10H2
InChIKeyZHZNZSLXOOXMRZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.89
Rot. Bonds8

About 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol

6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol (PubChem CID 175565184) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol.

Molecular Properties

Compound Name6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol
PubChem CID175565184
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol
SMILESOCCCC=C=COC=C=CCCCO
InChIInChI=1S/C12H18O3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h3-4,11-14H,1-2,5-6,9-10H2
InChIKeyZHZNZSLXOOXMRZ-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-hydroxypenta-1,2-dienoxy)penta-3,4-dien-1-ol
CID 87408692
octa-4,5-dien-1-ol
CID 14002940
tetradeca-1,2-dienyl acetate
CID 145409573
4-cyclopropylidenebutan-1-ol
CID 14119637
octadeca-2,3-dien-1-ol
CID 138969077
7-(7-hydroxyhept-1-enoxy)hept-6-en-1-ol
CID 57238469
12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
CID 173344652
5-fluoroocta-4,6,7-trien-1-ol
CID 57248947
5-bromopent-4-en-1-ol
CID 78088319
(Z)-oct-5-en-7-yn-1-ol
CID 13293587
(4Z)-9-methyldeca-4,8-dien-1-ol
CID 11116454
9-methyldeca-4,8-dien-1-ol
CID 71361046

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol?
The IUPAC name of 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol (CID 175565184) is 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol.
What is the SMILES notation for 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol?
The canonical SMILES for 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol is OCCCC=C=COC=C=CCCCO.
What is the InChIKey of 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol?
The InChIKey is ZHZNZSLXOOXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h3-4,11-14H,1-2,5-6,9-10H2.
What are the key properties of 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol?
6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol has a molecular weight of 210.27 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol is sourced from PubChem (CID 175565184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).