4,4,8,8-tetramethylundeca-2,9-dienedioic acid

C15H24O4 — CID 91417324

IUPAC4,4,8,8-tetramethylundeca-2,9-dienedioic acid
SMILESCC(C)(C=CC(=O)O)CCCC(C)(C)C=CC(=O)O
InChIInChI=1S/C15H24O4/c1-14(2,10-6-12(16)17)8-5-9-15(3,4)11-7-13(18)19/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKKHXXRCWJQKHBG-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.49
Rot. Bonds8

About 4,4,8,8-tetramethylundeca-2,9-dienedioic acid

4,4,8,8-tetramethylundeca-2,9-dienedioic acid (PubChem CID 91417324) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4,4,8,8-tetramethylundeca-2,9-dienedioic acid.

Molecular Properties

Compound Name4,4,8,8-tetramethylundeca-2,9-dienedioic acid
PubChem CID91417324
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name4,4,8,8-tetramethylundeca-2,9-dienedioic acid
SMILESCC(C)(C=CC(=O)O)CCCC(C)(C)C=CC(=O)O
InChIInChI=1S/C15H24O4/c1-14(2,10-6-12(16)17)8-5-9-15(3,4)11-7-13(18)19/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKKHXXRCWJQKHBG-UHFFFAOYSA-N
XLogP3.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22261491
(E)-4-amino-4-methylpent-2-enoic acid
CID 23441306
(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride
CID 23241830
(E,5S)-5-hydroxy-4,4-dimethylhex-2-enoic acid
CID 146682851
(Z)-4-methoxy-4-methylpent-2-enoic acid
CID 175756379
5-hydroxy-4,4-dimethylhex-2-enoic acid
CID 163125157
(2E,6E,10E)-11-bromo-4,4,7-trimethyldodeca-2,6,10-trienoic acid
CID 10267790
(E)-8-bromo-6,6-dimethyloct-7-en-2-one
CID 20606267
4-[[(E)-4,4-dimethylpent-2-enoyl]-methylamino]butanoic acid
CID 115729886
calcium;(Z)-but-2-enedioic acid;hydride;prop-1-ene
CID 174748492
(E)-4-methyl-4-(2-sulfanylacetyl)oxypent-2-enoic acid
CID 168744875
azane;(Z)-but-2-enedioic acid;zirconium
CID 87185772

Frequently Asked Questions

What is the IUPAC name of 4,4,8,8-tetramethylundeca-2,9-dienedioic acid?
The IUPAC name of 4,4,8,8-tetramethylundeca-2,9-dienedioic acid (CID 91417324) is 4,4,8,8-tetramethylundeca-2,9-dienedioic acid.
What is the SMILES notation for 4,4,8,8-tetramethylundeca-2,9-dienedioic acid?
The canonical SMILES for 4,4,8,8-tetramethylundeca-2,9-dienedioic acid is CC(C)(C=CC(=O)O)CCCC(C)(C)C=CC(=O)O.
What is the InChIKey of 4,4,8,8-tetramethylundeca-2,9-dienedioic acid?
The InChIKey is KKHXXRCWJQKHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-14(2,10-6-12(16)17)8-5-9-15(3,4)11-7-13(18)19/h6-7,10-11H,5,8-9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4,4,8,8-tetramethylundeca-2,9-dienedioic acid?
4,4,8,8-tetramethylundeca-2,9-dienedioic acid has a molecular weight of 268.35 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetramethylundeca-2,9-dienedioic acid is sourced from PubChem (CID 91417324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).