5-ethyl-2,2-dimethylhexanedioic acid

C10H18O4 — CID 142768859

IUPAC5-ethyl-2,2-dimethylhexanedioic acid
SMILESCCC(CCC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-7(8(11)12)5-6-10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyKHOCNFWFRYBRET-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.99
Rot. Bonds6

About 5-ethyl-2,2-dimethylhexanedioic acid

5-ethyl-2,2-dimethylhexanedioic acid (PubChem CID 142768859) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethylhexanedioic acid.

Molecular Properties

Compound Name5-ethyl-2,2-dimethylhexanedioic acid
PubChem CID142768859
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-ethyl-2,2-dimethylhexanedioic acid
SMILESCCC(CCC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-7(8(11)12)5-6-10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyKHOCNFWFRYBRET-UHFFFAOYSA-N
XLogP1.99
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5,5-difluorohexanoic acid
CID 126844332
2-tert-butyl-2,5-diethylhexanedioic acid
CID 174961257
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
2-ethylhexanoic acid;palladium(2+)
CID 18629949
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
cobalt;bis(2-ethylhexanoic acid)
CID 85390748

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethylhexanedioic acid?
The IUPAC name of 5-ethyl-2,2-dimethylhexanedioic acid (CID 142768859) is 5-ethyl-2,2-dimethylhexanedioic acid.
What is the SMILES notation for 5-ethyl-2,2-dimethylhexanedioic acid?
The canonical SMILES for 5-ethyl-2,2-dimethylhexanedioic acid is CCC(CCC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 5-ethyl-2,2-dimethylhexanedioic acid?
The InChIKey is KHOCNFWFRYBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-7(8(11)12)5-6-10(2,3)9(13)14/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-ethyl-2,2-dimethylhexanedioic acid?
5-ethyl-2,2-dimethylhexanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethylhexanedioic acid is sourced from PubChem (CID 142768859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).