9,10,11,12-tetramethyloctadeca-9,11-dienoic acid

C22H40O2 — CID 76806265

IUPAC9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
SMILESCCCCCCC(C)=C(C)C(C)=C(C)CCCCCCCC(=O)O
InChIInChI=1S/C22H40O2/c1-6-7-8-12-15-18(2)20(4)21(5)19(3)16-13-10-9-11-14-17-22(23)24/h6-17H2,1-5H3,(H,23,24)
InChIKeyBJDFDVRCCVNAKA-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.44
Rot. Bonds14

About 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid

9,10,11,12-tetramethyloctadeca-9,11-dienoic acid (PubChem CID 76806265) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid.

Molecular Properties

Compound Name9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
PubChem CID76806265
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
SMILESCCCCCCC(C)=C(C)C(C)=C(C)CCCCCCCC(=O)O
InChIInChI=1S/C22H40O2/c1-6-7-8-12-15-18(2)20(4)21(5)19(3)16-13-10-9-11-14-17-22(23)24/h6-17H2,1-5H3,(H,23,24)
InChIKeyBJDFDVRCCVNAKA-UHFFFAOYSA-N
XLogP7.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
CID 76806274
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
hexadecanoic acid;propan-2-one
CID 87722461
acetic acid;decanoic acid
CID 159015360
decanoic acid;propan-2-one
CID 158596023
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468

Frequently Asked Questions

What is the IUPAC name of 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid?
The IUPAC name of 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid (CID 76806265) is 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid.
What is the SMILES notation for 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid?
The canonical SMILES for 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid is CCCCCCC(C)=C(C)C(C)=C(C)CCCCCCCC(=O)O.
What is the InChIKey of 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid?
The InChIKey is BJDFDVRCCVNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-6-7-8-12-15-18(2)20(4)21(5)19(3)16-13-10-9-11-14-17-22(23)24/h6-17H2,1-5H3,(H,23,24).
What are the key properties of 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid?
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid has a molecular weight of 336.56 g/mol, XLogP of 7.44, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,11,12-tetramethyloctadeca-9,11-dienoic acid is sourced from PubChem (CID 76806265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).