heptadeca-9,11,14-trien-8-ol

C17H30O — CID 165117059

IUPACheptadeca-9,11,14-trien-8-ol
SMILESCCC=CCC=CC=CC(O)CCCCCCC
InChIInChI=1S/C17H30O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h5,7,10,12,14,16-18H,3-4,6,8-9,11,13,15H2,1-2H3
InChIKeyLJPXQTCICHTRQH-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.18
Rot. Bonds11

About heptadeca-9,11,14-trien-8-ol

heptadeca-9,11,14-trien-8-ol (PubChem CID 165117059) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is heptadeca-9,11,14-trien-8-ol.

Molecular Properties

Compound Nameheptadeca-9,11,14-trien-8-ol
PubChem CID165117059
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameheptadeca-9,11,14-trien-8-ol
SMILESCCC=CCC=CC=CC(O)CCCCCCC
InChIInChI=1S/C17H30O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h5,7,10,12,14,16-18H,3-4,6,8-9,11,13,15H2,1-2H3
InChIKeyLJPXQTCICHTRQH-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
(3R,4E,6Z,9Z,12Z,14E,16S)-icosa-4,6,9,12,14-pentaene-3,16-diol
CID 87523165
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
[(2R)-3-dodecanoyloxy-2-hydroxypropyl] (6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoate
CID 157002854
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
octadec-3-en-5-ol
CID 144649733
(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
CID 89023941
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] (10E,12E,15E)-9-hydroxyoctadeca-10,12,15-trienoate
CID 157005346
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
[(2R)-2-hydroxy-3-nonadecanoyloxypropyl] (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoate
CID 157004284

Frequently Asked Questions

What is the IUPAC name of heptadeca-9,11,14-trien-8-ol?
The IUPAC name of heptadeca-9,11,14-trien-8-ol (CID 165117059) is heptadeca-9,11,14-trien-8-ol.
What is the SMILES notation for heptadeca-9,11,14-trien-8-ol?
The canonical SMILES for heptadeca-9,11,14-trien-8-ol is CCC=CCC=CC=CC(O)CCCCCCC.
What is the InChIKey of heptadeca-9,11,14-trien-8-ol?
The InChIKey is LJPXQTCICHTRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h5,7,10,12,14,16-18H,3-4,6,8-9,11,13,15H2,1-2H3.
What are the key properties of heptadeca-9,11,14-trien-8-ol?
heptadeca-9,11,14-trien-8-ol has a molecular weight of 250.43 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-9,11,14-trien-8-ol is sourced from PubChem (CID 165117059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).