2,7,10,11-tetramethyldodeca-2,4-dienoic acid

C16H28O2 — CID 54204966

IUPAC2,7,10,11-tetramethyldodeca-2,4-dienoic acid
SMILESCC(=CC=CCC(C)CCC(C)C(C)C)C(=O)O
InChIInChI=1S/C16H28O2/c1-12(2)14(4)11-10-13(3)8-6-7-9-15(5)16(17)18/h6-7,9,12-14H,8,10-11H2,1-5H3,(H,17,18)
InChIKeyPRWLNRMUPBAGHF-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.67
Rot. Bonds8

About 2,7,10,11-tetramethyldodeca-2,4-dienoic acid

2,7,10,11-tetramethyldodeca-2,4-dienoic acid (PubChem CID 54204966) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,7,10,11-tetramethyldodeca-2,4-dienoic acid.

Molecular Properties

Compound Name2,7,10,11-tetramethyldodeca-2,4-dienoic acid
PubChem CID54204966
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2,7,10,11-tetramethyldodeca-2,4-dienoic acid
SMILESCC(=CC=CCC(C)CCC(C)C(C)C)C(=O)O
InChIInChI=1S/C16H28O2/c1-12(2)14(4)11-10-13(3)8-6-7-9-15(5)16(17)18/h6-7,9,12-14H,8,10-11H2,1-5H3,(H,17,18)
InChIKeyPRWLNRMUPBAGHF-UHFFFAOYSA-N
XLogP4.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-2-methylocta-2,4-dienoic acid
CID 154067734
8-methoxy-2,7-dimethyl-8-oxoocta-2,4-dienoic acid
CID 174694127
methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate
CID 21437627
methyl 2,7,11-trimethyldodeca-2,4,10-trienoate
CID 54097352
(2E,4E,9E)-2,7-dimethyltrideca-2,4,9-trienethioic S-acid
CID 118054288
(2E,4E)-2,7,10,11-tetramethyldodeca-2,4,10-trien-1-ol
CID 88841471
2-methyl-12-oxododeca-2,4-dienoic acid
CID 123165729
2-methyldeca-2,4,6-trienoic acid
CID 54490128
(2E,4E)-7-methylundeca-2,4-dienoic acid
CID 19761491
ethyl (2E,4E)-2,7-dimethylocta-2,4-dienoate
CID 88840952
(3E,7S,9E,11E)-7-methyltrideca-3,9,11-trien-2-one
CID 11687113
2,5-dimethylheptadec-2-enoic acid
CID 54050790

Frequently Asked Questions

What is the IUPAC name of 2,7,10,11-tetramethyldodeca-2,4-dienoic acid?
The IUPAC name of 2,7,10,11-tetramethyldodeca-2,4-dienoic acid (CID 54204966) is 2,7,10,11-tetramethyldodeca-2,4-dienoic acid.
What is the SMILES notation for 2,7,10,11-tetramethyldodeca-2,4-dienoic acid?
The canonical SMILES for 2,7,10,11-tetramethyldodeca-2,4-dienoic acid is CC(=CC=CCC(C)CCC(C)C(C)C)C(=O)O.
What is the InChIKey of 2,7,10,11-tetramethyldodeca-2,4-dienoic acid?
The InChIKey is PRWLNRMUPBAGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12(2)14(4)11-10-13(3)8-6-7-9-15(5)16(17)18/h6-7,9,12-14H,8,10-11H2,1-5H3,(H,17,18).
What are the key properties of 2,7,10,11-tetramethyldodeca-2,4-dienoic acid?
2,7,10,11-tetramethyldodeca-2,4-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,10,11-tetramethyldodeca-2,4-dienoic acid is sourced from PubChem (CID 54204966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).