2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid

C15H26O4 — CID 167240183

IUPAC2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid
SMILESC=C(C(C)CC(C)C(=O)O)C(C)CC(C)(C)C(=O)O
InChIInChI=1S/C15H26O4/c1-9(7-10(2)13(16)17)12(4)11(3)8-15(5,6)14(18)19/h9-11H,4,7-8H2,1-3,5-6H3,(H,16,17)(H,18,19)
InChIKeyKTMJTWIBLVELHC-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.43
Rot. Bonds8

About 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid

2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid (PubChem CID 167240183) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid.

Molecular Properties

Compound Name2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid
PubChem CID167240183
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid
SMILESC=C(C(C)CC(C)C(=O)O)C(C)CC(C)(C)C(=O)O
InChIInChI=1S/C15H26O4/c1-9(7-10(2)13(16)17)12(4)11(3)8-15(5,6)14(18)19/h9-11H,4,7-8H2,1-3,5-6H3,(H,16,17)(H,18,19)
InChIKeyKTMJTWIBLVELHC-UHFFFAOYSA-N
XLogP3.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.43
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

2,2,4-trimethylhexanoic acid
CID 15564208
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
CID 91562993
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid
CID 159615695
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
4-amino-2,4-dimethylpentanoic acid
CID 20501045
5-[3-(4-carboxy-2,2-dimethylpentanoyl)oxy-2,2-bis[(4-carboxy-2,2-dimethylpentanoyl)oxymethyl]propoxy]-2,4,4-trimethyl-5-oxopentanoic acid
CID 147380792
6-hydroxy-2,5-dimethylhept-6-enoic acid
CID 88859921
4-amino-2-methylpentanoic acid
CID 22105024
2,6-dimethyl-4-(2-phosphorosopropan-2-yl)heptanedioic acid
CID 22919007

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid?
The IUPAC name of 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid (CID 167240183) is 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid.
What is the SMILES notation for 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid?
The canonical SMILES for 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid is C=C(C(C)CC(C)C(=O)O)C(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid?
The InChIKey is KTMJTWIBLVELHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-9(7-10(2)13(16)17)12(4)11(3)8-15(5,6)14(18)19/h9-11H,4,7-8H2,1-3,5-6H3,(H,16,17)(H,18,19).
What are the key properties of 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid?
2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid has a molecular weight of 270.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid is sourced from PubChem (CID 167240183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).