2-ethyl-4,6-dimethylheptanedioic acid

C11H20O4 — CID 156625927

IUPAC2-ethyl-4,6-dimethylheptanedioic acid
SMILESCCC(CC(C)CC(C)C(=O)O)C(=O)O
InChIInChI=1S/C11H20O4/c1-4-9(11(14)15)6-7(2)5-8(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVWEHNANZRJROCF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.23
Rot. Bonds7

About 2-ethyl-4,6-dimethylheptanedioic acid

2-ethyl-4,6-dimethylheptanedioic acid (PubChem CID 156625927) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethylheptanedioic acid.

Molecular Properties

Compound Name2-ethyl-4,6-dimethylheptanedioic acid
PubChem CID156625927
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-ethyl-4,6-dimethylheptanedioic acid
SMILESCCC(CC(C)CC(C)C(=O)O)C(=O)O
InChIInChI=1S/C11H20O4/c1-4-9(11(14)15)6-7(2)5-8(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyVWEHNANZRJROCF-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
4-carbamoyl-2-methylhexanoic acid
CID 20783257
2-ethyl-4-fluoropentanoic acid
CID 142907671
(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
CID 94036784
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
2-ethylbutanoic acid;2-methylpentanoic acid
CID 140982788
CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-dimethylheptanedioic acid?
The IUPAC name of 2-ethyl-4,6-dimethylheptanedioic acid (CID 156625927) is 2-ethyl-4,6-dimethylheptanedioic acid.
What is the SMILES notation for 2-ethyl-4,6-dimethylheptanedioic acid?
The canonical SMILES for 2-ethyl-4,6-dimethylheptanedioic acid is CCC(CC(C)CC(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-4,6-dimethylheptanedioic acid?
The InChIKey is VWEHNANZRJROCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-9(11(14)15)6-7(2)5-8(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-ethyl-4,6-dimethylheptanedioic acid?
2-ethyl-4,6-dimethylheptanedioic acid has a molecular weight of 216.28 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dimethylheptanedioic acid is sourced from PubChem (CID 156625927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).