(9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid

C15H26O3 — CID 162413012

IUPAC(9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid
SMILESCC(=CC(C)CC(C)C(=O)O)CC/C=C(\C)CO
InChIInChI=1S/C15H26O3/c1-11(6-5-7-12(2)10-16)8-13(3)9-14(4)15(17)18/h7-8,13-14,16H,5-6,9-10H2,1-4H3,(H,17,18)/b11-8?,12-7+
InChIKeyNELMRACUISQGNV-HLZGRMLGSA-N
MW254.37 g/mol
LogP3.40
Rot. Bonds8

About (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid

(9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid (PubChem CID 162413012) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid.

Molecular Properties

Compound Name(9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid
PubChem CID162413012
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid
SMILESCC(=CC(C)CC(C)C(=O)O)CC/C=C(\C)CO
InChIInChI=1S/C15H26O3/c1-11(6-5-7-12(2)10-16)8-13(3)9-14(4)15(17)18/h7-8,13-14,16H,5-6,9-10H2,1-4H3,(H,17,18)/b11-8?,12-7+
InChIKeyNELMRACUISQGNV-HLZGRMLGSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.40
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

(2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid
CID 10352414
(E,E,E)-7-carboxy-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol
CID 12084974
2,6-Dimethyl-5-heptenoic acid
CID 12584678
Nerylgeraniol-18-oic acid
CID 11186287
Isonerylgeraniol-18-oic acid
CID 11232455
2-(6-Hydroxy-4-methylhex-4-enylidene)-6,10-dimethylundeca-5,9-dienoic acid
CID 54573356
(E,Z,Z,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid
CID 163184467
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid
CID 101414422
(E)-4,6-dimethylnon-5-enoic acid
CID 178251350
(E)-4,6-dimethyldec-5-enoic acid
CID 178251351
12-Hydroxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
CID 72761683
(3S,5S)-3-(4-hydroxy-3-methylbut-2-enyl)-5-methyloxolan-2-one
CID 130876180

Frequently Asked Questions

What is the IUPAC name of (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid?
The IUPAC name of (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid (CID 162413012) is (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid.
What is the SMILES notation for (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid?
The canonical SMILES for (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid is CC(=CC(C)CC(C)C(=O)O)CC/C=C(\C)CO.
What is the InChIKey of (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid?
The InChIKey is NELMRACUISQGNV-HLZGRMLGSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(6-5-7-12(2)10-16)8-13(3)9-14(4)15(17)18/h7-8,13-14,16H,5-6,9-10H2,1-4H3,(H,17,18)/b11-8?,12-7+.
What are the key properties of (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid?
(9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid has a molecular weight of 254.37 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-11-hydroxy-2,4,6,10-tetramethylundeca-5,9-dienoic acid is sourced from PubChem (CID 162413012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).