(E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid

C13H24O3 — CID 11953515

IUPAC(E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid
SMILESC/C(=C\[C@H](C)CC(C)C)C(O)C(C)C(=O)O
InChIInChI=1S/C13H24O3/c1-8(2)6-9(3)7-10(4)12(14)11(5)13(15)16/h7-9,11-12,14H,6H2,1-5H3,(H,15,16)/b10-7+/t9-,11?,12?/m1/s1
InChIKeyFBUHPIHKLTYWFO-IQNZGNTRSA-N
MW228.33 g/mol
LogP2.70
Rot. Bonds6

About (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid

(E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid (PubChem CID 11953515) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid.

Molecular Properties

Compound Name(E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid
PubChem CID11953515
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid
SMILESC/C(=C\[C@H](C)CC(C)C)C(O)C(C)C(=O)O
InChIInChI=1S/C13H24O3/c1-8(2)6-9(3)7-10(4)12(14)11(5)13(15)16/h7-9,11-12,14H,6H2,1-5H3,(H,15,16)/b10-7+/t9-,11?,12?/m1/s1
InChIKeyFBUHPIHKLTYWFO-IQNZGNTRSA-N
XLogP2.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11357243
Cubensic acid
CID 11606134
3,7,11,15-Tetrahydroxy-18-(hydroxymethyl)-2,4,6,10,14,16,20-heptamethyldocosa-4,8,12,16-tetraenoic acid
CID 73027129
Gliomacid B
CID 139590656
Graphostromol J
CID 146682842
(2R,3R,4E,6S,7S,8E,10S,11S,12E,14S,15R,16E,18R,20S)-3,7,11,15-tetrahydroxy-18-(hydroxymethyl)-2,4,6,10,14,16,20-heptamethyldocosa-4,8,12,16-tetraenoic acid
CID 162920251
2-Hydroxycyclohex-3-ene-1-carboxylic acid
CID 14090861
3,7,11,15-Tetrahydroxy-2,6,10,14,16,18-hexamethylicosa-4,8,12,16-tetraenoic acid
CID 71446702
(S)-methyl 2-((S)-1-hydroxyethyl)-5-methylhex-4-enoate
CID 118194687
(-)-2,7-Dimethyl-4-hydroxy-5,7-octadienoic acid
CID 129850581
3-Cyclobut-1-enyl-3-hydroxy-2-methyl-propionic acid
CID 557913
4-Hexenoic acid, 3-hydroxy-2-methyl-, methyl ester, (R*,R*)-
CID 5368117

Frequently Asked Questions

What is the IUPAC name of (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid?
The IUPAC name of (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid (CID 11953515) is (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid.
What is the SMILES notation for (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid?
The canonical SMILES for (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid is C/C(=C\[C@H](C)CC(C)C)C(O)C(C)C(=O)O.
What is the InChIKey of (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid?
The InChIKey is FBUHPIHKLTYWFO-IQNZGNTRSA-N. The full InChI is InChI=1S/C13H24O3/c1-8(2)6-9(3)7-10(4)12(14)11(5)13(15)16/h7-9,11-12,14H,6H2,1-5H3,(H,15,16)/b10-7+/t9-,11?,12?/m1/s1.
What are the key properties of (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid?
(E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid has a molecular weight of 228.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-3-hydroxy-2,4,6,8-tetramethylnon-4-enoic acid is sourced from PubChem (CID 11953515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).