2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol

C11H18O2 — CID 143068364

IUPAC2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol
SMILESC/C=C\C=C/C(=C/C)OC(C)CO
InChIInChI=1S/C11H18O2/c1-4-6-7-8-11(5-2)13-10(3)9-12/h4-8,10,12H,9H2,1-3H3/b6-4-,8-7-,11-5-
InChIKeyZNTZYAUEBWRYKI-UMWQDMCKSA-N
MW182.26 g/mol
LogP2.42
Rot. Bonds5

About 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol

2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol (PubChem CID 143068364) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol
PubChem CID143068364
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol
SMILESC/C=C\C=C/C(=C/C)OC(C)CO
InChIInChI=1S/C11H18O2/c1-4-6-7-8-11(5-2)13-10(3)9-12/h4-8,10,12H,9H2,1-3H3/b6-4-,8-7-,11-5-
InChIKeyZNTZYAUEBWRYKI-UMWQDMCKSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol with MolForge

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Related Compounds

N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide
CID 79252380
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-hydroxypropanoate
CID 43407051
(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene
CID 144808222
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586
(2E,4E)-hexa-2,4-dienoic acid;propane-1,2-diol
CID 158193254
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
2-[(Z)-prop-1-enoxy]propan-1-ol
CID 134346043
N-butan-2-ylhexa-2,4-dienamide
CID 76545623
bis(1-hydroxypropan-2-yl) carbonate
CID 87589930
[(2R)-1-[[(2E,4E)-hexa-2,4-dienoyl]amino]-1-hydroxypropan-2-yl] (2E,4E)-hexa-2,4-dienoate
CID 101186888
1-aminoethyl (2E,4E)-hexa-2,4-dienoate
CID 174536544

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol?
The IUPAC name of 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol (CID 143068364) is 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol.
What is the SMILES notation for 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol?
The canonical SMILES for 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol is C/C=C\C=C/C(=C/C)OC(C)CO.
What is the InChIKey of 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol?
The InChIKey is ZNTZYAUEBWRYKI-UMWQDMCKSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-6-7-8-11(5-2)13-10(3)9-12/h4-8,10,12H,9H2,1-3H3/b6-4-,8-7-,11-5-.
What are the key properties of 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol?
2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z,6Z)-octa-2,4,6-trien-3-yl]oxypropan-1-ol is sourced from PubChem (CID 143068364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).