3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid

C18H32O3 — CID 163153417

IUPAC3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
SMILESCC=C(C)C=C(C)CC(C)CCCCC(O)C(C)C(=O)O
InChIInChI=1S/C18H32O3/c1-6-13(2)11-15(4)12-14(3)9-7-8-10-17(19)16(5)18(20)21/h6,11,14,16-17,19H,7-10,12H2,1-5H3,(H,20,21)
InChIKeyOFEICKOWYHYGFA-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.57
Rot. Bonds10

About 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid

3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid (PubChem CID 163153417) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid.

Molecular Properties

Compound Name3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
PubChem CID163153417
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
SMILESCC=C(C)C=C(C)CC(C)CCCCC(O)C(C)C(=O)O
InChIInChI=1S/C18H32O3/c1-6-13(2)11-15(4)12-14(3)9-7-8-10-17(19)16(5)18(20)21/h6,11,14,16-17,19H,7-10,12H2,1-5H3,(H,20,21)
InChIKeyOFEICKOWYHYGFA-UHFFFAOYSA-N
XLogP4.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,8R,10E,12Z)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
CID 146682894
3,9-dihydroxy-2-methyldecanoic acid
CID 18709867
(2E,4E,7R,12S,13R)-12-[(2R,3R,8S,10E,12E)-13-carboxy-3-hydroxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
CID 95224042
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
6-bromo-3-hydroxy-2-methylhexanoic acid
CID 14637746
(2R,3R)-8,9-difluoro-3-hydroxy-2-methylnonanoic acid
CID 138478690
(2E,4E)-11-[3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid
CID 10471501
(2S,3R)-3-hydroxy-2-methyloct-7-ynoic acid
CID 11789635
tert-butyl (2E,4E,7R)-12-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyldodeca-2,4-dienoate
CID 11144354
(2S)-5-chloro-3-hydroxy-2-methylpentanoic acid
CID 87872460
ethyl 3,5,7,10-tetramethylundeca-2,4-dienoate
CID 54282549
ethyl 11-methoxy-3,5,7,11-tetramethyldodeca-2,4-dienoate
CID 54084564

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid?
The IUPAC name of 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid (CID 163153417) is 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid.
What is the SMILES notation for 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid?
The canonical SMILES for 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid is CC=C(C)C=C(C)CC(C)CCCCC(O)C(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid?
The InChIKey is OFEICKOWYHYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-6-13(2)11-15(4)12-14(3)9-7-8-10-17(19)16(5)18(20)21/h6,11,14,16-17,19H,7-10,12H2,1-5H3,(H,20,21).
What are the key properties of 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid?
3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid has a molecular weight of 296.45 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid is sourced from PubChem (CID 163153417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).