2-(2-methoxyethyl)-8-methylnonanoic acid

C13H26O3 — CID 134561525

IUPAC2-(2-methoxyethyl)-8-methylnonanoic acid
SMILESCOCCC(CCCCCC(C)C)C(=O)O
InChIInChI=1S/C13H26O3/c1-11(2)7-5-4-6-8-12(13(14)15)9-10-16-3/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyWMDUBYZZTRRZDC-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.33
Rot. Bonds10

About 2-(2-methoxyethyl)-8-methylnonanoic acid

2-(2-methoxyethyl)-8-methylnonanoic acid (PubChem CID 134561525) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-methylnonanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-methylnonanoic acid
PubChem CID134561525
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-(2-methoxyethyl)-8-methylnonanoic acid
SMILESCOCCC(CCCCCC(C)C)C(=O)O
InChIInChI=1S/C13H26O3/c1-11(2)7-5-4-6-8-12(13(14)15)9-10-16-3/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyWMDUBYZZTRRZDC-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
2-butyl-18-methylnonadecanoic acid
CID 22376972
2-(3-hydroxypropyl)-16-methylheptadecanoic acid
CID 130475674
18-hydroxy-2-(6-methylheptyl)octadecanoic acid
CID 54382083
16-methylheptadecyl 16-methylheptadecanoate;18-methyl-2-(14-methylpentadecyl)nonadecanoic acid
CID 175729949
2,8-bis(6-methylheptyl)decanedioic acid
CID 57162444
2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-(5-methylhexyl)butanedioic acid
CID 174966499
1-methoxy-3,10-dimethylundecane
CID 154134706
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
2-(2-ethylbutyl)-12-methyltridecanoic acid
CID 141197707
2-(methoxymethyl)non-8-enoic acid
CID 90389869

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-methylnonanoic acid?
The IUPAC name of 2-(2-methoxyethyl)-8-methylnonanoic acid (CID 134561525) is 2-(2-methoxyethyl)-8-methylnonanoic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-8-methylnonanoic acid?
The canonical SMILES for 2-(2-methoxyethyl)-8-methylnonanoic acid is COCCC(CCCCCC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methoxyethyl)-8-methylnonanoic acid?
The InChIKey is WMDUBYZZTRRZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-11(2)7-5-4-6-8-12(13(14)15)9-10-16-3/h11-12H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-methoxyethyl)-8-methylnonanoic acid?
2-(2-methoxyethyl)-8-methylnonanoic acid has a molecular weight of 230.35 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-methylnonanoic acid is sourced from PubChem (CID 134561525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).