2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid

C15H24O3 — CID 162815911

IUPAC2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid
SMILESCC(=O)C(C)CC(C)C=CCCC=C(C)C(=O)O
InChIInChI=1S/C15H24O3/c1-11(10-13(3)14(4)16)8-6-5-7-9-12(2)15(17)18/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,17,18)
InChIKeyIGDIQNCCICVRIN-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.61
Rot. Bonds8

About 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid

2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid (PubChem CID 162815911) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid.

Molecular Properties

Compound Name2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid
PubChem CID162815911
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid
SMILESCC(=O)C(C)CC(C)C=CCCC=C(C)C(=O)O
InChIInChI=1S/C15H24O3/c1-11(10-13(3)14(4)16)8-6-5-7-9-12(2)15(17)18/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,17,18)
InChIKeyIGDIQNCCICVRIN-UHFFFAOYSA-N
XLogP3.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
5-(2-chloropropanoyloxy)-2-methylpent-2-enoic acid
CID 173221396
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
2-methyl-6-oxohept-2-enoic acid
CID 85419897
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
2-methyl-6-propyldec-2-enoic acid
CID 123148332
6-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 54081309
8-hydroxy-2-methylnon-2-enoic acid
CID 57087697
(E)-6-methoxy-2-methylhept-2-enoic acid
CID 22026595
6-iodo-2-methylhexa-2,5-dienoic acid
CID 173232639
(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
CID 55302737

Frequently Asked Questions

What is the IUPAC name of 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid?
The IUPAC name of 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid (CID 162815911) is 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid.
What is the SMILES notation for 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid?
The canonical SMILES for 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid is CC(=O)C(C)CC(C)C=CCCC=C(C)C(=O)O.
What is the InChIKey of 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid?
The InChIKey is IGDIQNCCICVRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(10-13(3)14(4)16)8-6-5-7-9-12(2)15(17)18/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,17,18).
What are the key properties of 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid?
2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid has a molecular weight of 252.35 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid is sourced from PubChem (CID 162815911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).