(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid

C12H16O3 — CID 11854261

IUPAC(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid
SMILESC/C=C/C=C/C=C/CC(O)/C=C/C(=O)O
InChIInChI=1S/C12H16O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2-7,9-11,13H,8H2,1H3,(H,14,15)/b3-2+,5-4+,7-6+,10-9+
InChIKeySUBHNPBCCHGRAZ-BIWCAXOLSA-N
MW208.26 g/mol
LogP2.07
Rot. Bonds6

About (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid

(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid (PubChem CID 11854261) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid.

Molecular Properties

Compound Name(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid
PubChem CID11854261
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid
SMILESC/C=C/C=C/C=C/CC(O)/C=C/C(=O)O
InChIInChI=1S/C12H16O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2-7,9-11,13H,8H2,1H3,(H,14,15)/b3-2+,5-4+,7-6+,10-9+
InChIKeySUBHNPBCCHGRAZ-BIWCAXOLSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid with MolForge

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Related Compounds

hexa-2,4-dienoic acid;propan-2-ol
CID 174930282
2-ethyldeca-4,6,8-trienoic acid
CID 175025766
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
(2E,4E)-hexa-2,4-dienoic acid;propane-1,2-diol
CID 158193254
(2E,4E,8Z)-deca-2,4,8-trienoic acid
CID 87961054
2,3-dihydroxybutanedioic acid;(2E,4E)-hexa-2,4-dienoic acid
CID 88536237
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
hexa-2,4-dienoic acid;sulfane
CID 173071228
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
CID 71665428

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid?
The IUPAC name of (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid (CID 11854261) is (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid.
What is the SMILES notation for (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid?
The canonical SMILES for (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid is C/C=C/C=C/C=C/CC(O)/C=C/C(=O)O.
What is the InChIKey of (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid?
The InChIKey is SUBHNPBCCHGRAZ-BIWCAXOLSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2-7,9-11,13H,8H2,1H3,(H,14,15)/b3-2+,5-4+,7-6+,10-9+.
What are the key properties of (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid?
(2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E,10E)-4-hydroxydodeca-2,6,8,10-tetraenoic acid is sourced from PubChem (CID 11854261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).