2,2,3,3,4-pentaethylhexanoic acid

C16H32O2 — CID 141157055

IUPAC2,2,3,3,4-pentaethylhexanoic acid
SMILESCCC(CC)C(CC)(CC)C(CC)(CC)C(=O)O
InChIInChI=1S/C16H32O2/c1-7-13(8-2)15(9-3,10-4)16(11-5,12-6)14(17)18/h13H,7-12H2,1-6H3,(H,17,18)
InChIKeyNOCQLJFADATJHV-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.12
Rot. Bonds9

About 2,2,3,3,4-pentaethylhexanoic acid

2,2,3,3,4-pentaethylhexanoic acid (PubChem CID 141157055) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2,2,3,3,4-pentaethylhexanoic acid.

Molecular Properties

Compound Name2,2,3,3,4-pentaethylhexanoic acid
PubChem CID141157055
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2,2,3,3,4-pentaethylhexanoic acid
SMILESCCC(CC)C(CC)(CC)C(CC)(CC)C(=O)O
InChIInChI=1S/C16H32O2/c1-7-13(8-2)15(9-3,10-4)16(11-5,12-6)14(17)18/h13H,7-12H2,1-6H3,(H,17,18)
InChIKeyNOCQLJFADATJHV-UHFFFAOYSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2,2,3,3,4-pentaethylhexanoic acid
CID 174541708
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
azane;2,3,3-tributyl-2,4-diethyloctanoic acid
CID 174659015
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
3-ethyl-2,2-difluoropentanoic acid
CID 53443922
3-bromo-2,2-diethylpentane-1,1,1-tricarboxylic acid
CID 22439476
2,2,3-triethyl-3-methoxycarbonylpentanoic acid
CID 171384079
(2S)-2-amino-3-ethyl-2-methylpentanoic acid;hydrochloride
CID 165389637
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
CID 123370825
2-tert-butyl-2,5-diethylhexanedioic acid
CID 174961257
sodium;2-heptan-3-yl-2-methylpropanedioic acid;hydride
CID 175370933

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentaethylhexanoic acid?
The IUPAC name of 2,2,3,3,4-pentaethylhexanoic acid (CID 141157055) is 2,2,3,3,4-pentaethylhexanoic acid.
What is the SMILES notation for 2,2,3,3,4-pentaethylhexanoic acid?
The canonical SMILES for 2,2,3,3,4-pentaethylhexanoic acid is CCC(CC)C(CC)(CC)C(CC)(CC)C(=O)O.
What is the InChIKey of 2,2,3,3,4-pentaethylhexanoic acid?
The InChIKey is NOCQLJFADATJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-7-13(8-2)15(9-3,10-4)16(11-5,12-6)14(17)18/h13H,7-12H2,1-6H3,(H,17,18).
What are the key properties of 2,2,3,3,4-pentaethylhexanoic acid?
2,2,3,3,4-pentaethylhexanoic acid has a molecular weight of 256.43 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentaethylhexanoic acid is sourced from PubChem (CID 141157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).