acetic acid;(9E)-tetradeca-9,12-dien-1-ol

C16H30O3 — CID 122715473

IUPACacetic acid;(9E)-tetradeca-9,12-dien-1-ol
SMILESCC(=O)O.CC=CC/C=C/CCCCCCCCO
InChIInChI=1S/C14H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2(3)4/h2-3,5-6,15H,4,7-14H2,1H3;1H3,(H,3,4)/b3-2?,6-5+;
InChIKeyFEHAKIBUZKQEOI-FTQDRGSHSA-N
MW270.41 g/mol
LogP4.32
Rot. Bonds10

About acetic acid;(9E)-tetradeca-9,12-dien-1-ol

acetic acid;(9E)-tetradeca-9,12-dien-1-ol (PubChem CID 122715473) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is acetic acid;(9E)-tetradeca-9,12-dien-1-ol.

Molecular Properties

Compound Nameacetic acid;(9E)-tetradeca-9,12-dien-1-ol
PubChem CID122715473
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nameacetic acid;(9E)-tetradeca-9,12-dien-1-ol
SMILESCC(=O)O.CC=CC/C=C/CCCCCCCCO
InChIInChI=1S/C14H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2(3)4/h2-3,5-6,15H,4,7-14H2,1H3;1H3,(H,3,4)/b3-2?,6-5+;
InChIKeyFEHAKIBUZKQEOI-FTQDRGSHSA-N
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54169368
20-hydroxyicosa-2,5-dienoic acid
CID 91232457
octacosa-20,23,26-trienoic acid
CID 169277364
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
henicosa-13,16,19-trienoic acid
CID 169277363
nonacosa-21,24,27-trienoic acid
CID 169276996
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
CID 5312748

Frequently Asked Questions

What is the IUPAC name of acetic acid;(9E)-tetradeca-9,12-dien-1-ol?
The IUPAC name of acetic acid;(9E)-tetradeca-9,12-dien-1-ol (CID 122715473) is acetic acid;(9E)-tetradeca-9,12-dien-1-ol.
What is the SMILES notation for acetic acid;(9E)-tetradeca-9,12-dien-1-ol?
The canonical SMILES for acetic acid;(9E)-tetradeca-9,12-dien-1-ol is CC(=O)O.CC=CC/C=C/CCCCCCCCO.
What is the InChIKey of acetic acid;(9E)-tetradeca-9,12-dien-1-ol?
The InChIKey is FEHAKIBUZKQEOI-FTQDRGSHSA-N. The full InChI is InChI=1S/C14H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2(3)4/h2-3,5-6,15H,4,7-14H2,1H3;1H3,(H,3,4)/b3-2?,6-5+;.
What are the key properties of acetic acid;(9E)-tetradeca-9,12-dien-1-ol?
acetic acid;(9E)-tetradeca-9,12-dien-1-ol has a molecular weight of 270.41 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(9E)-tetradeca-9,12-dien-1-ol is sourced from PubChem (CID 122715473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).