(2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid

C14H22O3 — CID 87513550

IUPAC(2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid
SMILESCCCCCCC/C=C/C=C/C(O)=C/C(=O)O
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h8-12,15H,2-7H2,1H3,(H,16,17)/b9-8+,11-10+,13-12-
InChIKeyIYQSOHSTGQJNOR-GUYOLSOBSA-N
MW238.33 g/mol
LogP3.99
Rot. Bonds9

About (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid

(2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid (PubChem CID 87513550) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid
PubChem CID87513550
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid
SMILESCCCCCCC/C=C/C=C/C(O)=C/C(=O)O
InChIInChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h8-12,15H,2-7H2,1H3,(H,16,17)/b9-8+,11-10+,13-12-
InChIKeyIYQSOHSTGQJNOR-GUYOLSOBSA-N
XLogP3.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid with MolForge

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Related Compounds

(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E,6E,8E,10E,12Z)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 122652013
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
azane;dodeca-2,4-dienoic acid
CID 174563549
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid?
The IUPAC name of (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid (CID 87513550) is (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid.
What is the SMILES notation for (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid?
The canonical SMILES for (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid is CCCCCCC/C=C/C=C/C(O)=C/C(=O)O.
What is the InChIKey of (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid?
The InChIKey is IYQSOHSTGQJNOR-GUYOLSOBSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h8-12,15H,2-7H2,1H3,(H,16,17)/b9-8+,11-10+,13-12-.
What are the key properties of (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid?
(2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-3-hydroxytetradeca-2,4,6-trienoic acid is sourced from PubChem (CID 87513550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).