(3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid

C20H32O4 — CID 156963308

IUPAC(3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid
SMILESC/C(=C\CCC(C)(O)/C=C/C(=O)C(C)C)CC/C=C(\C)CC(=O)O
InChIInChI=1S/C20H32O4/c1-15(2)18(21)11-13-20(5,24)12-7-10-16(3)8-6-9-17(4)14-19(22)23/h9-11,13,15,24H,6-8,12,14H2,1-5H3,(H,22,23)/b13-11+,16-10+,17-9+
InChIKeyHHAZEYQYXPTXMT-FQRNRSACSA-N
MW336.47 g/mol
LogP4.45
Rot. Bonds11

About (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid

(3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid (PubChem CID 156963308) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid.

Molecular Properties

Compound Name(3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid
PubChem CID156963308
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid
SMILESC/C(=C\CCC(C)(O)/C=C/C(=O)C(C)C)CC/C=C(\C)CC(=O)O
InChIInChI=1S/C20H32O4/c1-15(2)18(21)11-13-20(5,24)12-7-10-16(3)8-6-9-17(4)14-19(22)23/h9-11,13,15,24H,6-8,12,14H2,1-5H3,(H,22,23)/b13-11+,16-10+,17-9+
InChIKeyHHAZEYQYXPTXMT-FQRNRSACSA-N
XLogP4.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid with MolForge

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Related Compounds

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(6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-4-one
CID 163027409
10-hydroxy-2,6,10-trimethyldodeca-6,11-dien-4-one
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7,11-dimethyl-3-oxododeca-6,10-dienoic acid
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3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-1,6,10,14,34-pentaene-3,19,23,27,31-pentol
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11-hydroxy-1-methoxy-3,7,11-trimethyltrideca-3,7,12-trien-2-one
CID 57042220
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
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(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid?
The IUPAC name of (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid (CID 156963308) is (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid.
What is the SMILES notation for (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid?
The canonical SMILES for (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid is C/C(=C\CCC(C)(O)/C=C/C(=O)C(C)C)CC/C=C(\C)CC(=O)O.
What is the InChIKey of (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid?
The InChIKey is HHAZEYQYXPTXMT-FQRNRSACSA-N. The full InChI is InChI=1S/C20H32O4/c1-15(2)18(21)11-13-20(5,24)12-7-10-16(3)8-6-9-17(4)14-19(22)23/h9-11,13,15,24H,6-8,12,14H2,1-5H3,(H,22,23)/b13-11+,16-10+,17-9+.
What are the key properties of (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid?
(3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid has a molecular weight of 336.47 g/mol, XLogP of 4.45, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E,12E)-11-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid is sourced from PubChem (CID 156963308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).