2-ethoxy-2,5-dimethylhexanoic acid

C10H20O3 — CID 78969490

IUPAC2-ethoxy-2,5-dimethylhexanoic acid
SMILESCCOC(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C10H20O3/c1-5-13-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyCFKYOVREEHLQJH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds6

About 2-ethoxy-2,5-dimethylhexanoic acid

2-ethoxy-2,5-dimethylhexanoic acid (PubChem CID 78969490) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-ethoxy-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-ethoxy-2,5-dimethylhexanoic acid
PubChem CID78969490
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-ethoxy-2,5-dimethylhexanoic acid
SMILESCCOC(C)(CCC(C)C)C(=O)O
InChIInChI=1S/C10H20O3/c1-5-13-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyCFKYOVREEHLQJH-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-2-(4-methylpentoxy)hexanoic acid
CID 114994396
2-(3-methoxypropoxy)-2,5-dimethylhexanoic acid
CID 114993503
2-ethoxy-2-methylnonanoic acid
CID 78969453
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid
CID 114998058
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041
3-ethoxy-3,5-dimethylheptan-4-one
CID 116746837
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
2,2,5-trimethylhexanoyl 2,2,5-trimethylhexaneperoxoate
CID 21248465
2-(2-ethylhexoxy)-2-methylpentanoic acid
CID 114994394
ethyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756311

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,5-dimethylhexanoic acid?
The IUPAC name of 2-ethoxy-2,5-dimethylhexanoic acid (CID 78969490) is 2-ethoxy-2,5-dimethylhexanoic acid.
What is the SMILES notation for 2-ethoxy-2,5-dimethylhexanoic acid?
The canonical SMILES for 2-ethoxy-2,5-dimethylhexanoic acid is CCOC(C)(CCC(C)C)C(=O)O.
What is the InChIKey of 2-ethoxy-2,5-dimethylhexanoic acid?
The InChIKey is CFKYOVREEHLQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-13-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-ethoxy-2,5-dimethylhexanoic acid?
2-ethoxy-2,5-dimethylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,5-dimethylhexanoic acid is sourced from PubChem (CID 78969490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).