3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol

C11H18O2 — CID 142164581

IUPAC3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
SMILESC=C/C=C(\C=C/CC)OCCCO
InChIInChI=1S/C11H18O2/c1-3-5-8-11(7-4-2)13-10-6-9-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3/b8-5-,11-7+
InChIKeyGRFVIGAPCLVBKB-NDYCNEGQSA-N
MW182.26 g/mol
LogP2.42
Rot. Bonds7

About 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol

3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol (PubChem CID 142164581) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
PubChem CID142164581
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol
SMILESC=C/C=C(\C=C/CC)OCCCO
InChIInChI=1S/C11H18O2/c1-3-5-8-11(7-4-2)13-10-6-9-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3/b8-5-,11-7+
InChIKeyGRFVIGAPCLVBKB-NDYCNEGQSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxyheptadecane
CID 142260212
2-[[(3E,5Z)-octa-1,3,5-trien-4-yl]oxymethyl]aniline
CID 177242343
(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
CID 89344777
N-(3-hydroxypropyl)pent-2-enamide
CID 174776324
10-(1-hydroxynona-2,4,6-trien-5-yloxy)-N-methyldecanamide
CID 123661700
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3E,5Z)-4-methoxydeca-1,3,5-triene
CID 143017983
2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol
CID 143653650
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
N-ethyl-2-[2-[2-[3-[(3E)-hexa-1,3,5-trien-3-yl]oxypropoxy]ethoxy]ethoxy]ethanamine
CID 177193641
ethane;3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-ol
CID 153333983
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene
CID 143269279

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol (CID 142164581) is 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol is C=C/C=C(\C=C/CC)OCCCO.
What is the InChIKey of 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol?
The InChIKey is GRFVIGAPCLVBKB-NDYCNEGQSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-8-11(7-4-2)13-10-6-9-12/h4-5,7-8,12H,2-3,6,9-10H2,1H3/b8-5-,11-7+.
What are the key properties of 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol?
3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxypropan-1-ol is sourced from PubChem (CID 142164581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).