2-methyl-2-nonadecoxybutanoic acid

C24H48O3 — CID 88680932

IUPAC2-methyl-2-nonadecoxybutanoic acid
SMILESCCCCCCCCCCCCCCCCCCCOC(C)(CC)C(=O)O
InChIInChI=1S/C24H48O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-24(3,5-2)23(25)26/h4-22H2,1-3H3,(H,25,26)
InChIKeyHDIZOHWZNRBBFC-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.91
Rot. Bonds21

About 2-methyl-2-nonadecoxybutanoic acid

2-methyl-2-nonadecoxybutanoic acid (PubChem CID 88680932) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 2-methyl-2-nonadecoxybutanoic acid.

Molecular Properties

Compound Name2-methyl-2-nonadecoxybutanoic acid
PubChem CID88680932
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name2-methyl-2-nonadecoxybutanoic acid
SMILESCCCCCCCCCCCCCCCCCCCOC(C)(CC)C(=O)O
InChIInChI=1S/C24H48O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-24(3,5-2)23(25)26/h4-22H2,1-3H3,(H,25,26)
InChIKeyHDIZOHWZNRBBFC-UHFFFAOYSA-N
XLogP7.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.91
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-heptoxy-2-methylbutanoic acid
CID 19807820
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-hexoxy-2-methylbutanamide
CID 175435377
4-hydroxy-2-methyl-2-octadecoxypentanoic acid
CID 88607524
2-hexoxy-2-methylpropanoic acid
CID 114989010
2,2-didecoxypropanoic acid
CID 101272673
2-decoxy-2-ethylbutanoic acid
CID 138578040
2-ethoxy-2-methylnonanoic acid
CID 78969453
2-dodecoxy-2-sulfopropanoic acid
CID 174750625
3-hexoxy-3-methylbutan-2-one
CID 164846460
carbonic acid;1-pentoxypentane-1,1-diol
CID 89387830
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nonadecoxybutanoic acid?
The IUPAC name of 2-methyl-2-nonadecoxybutanoic acid (CID 88680932) is 2-methyl-2-nonadecoxybutanoic acid.
What is the SMILES notation for 2-methyl-2-nonadecoxybutanoic acid?
The canonical SMILES for 2-methyl-2-nonadecoxybutanoic acid is CCCCCCCCCCCCCCCCCCCOC(C)(CC)C(=O)O.
What is the InChIKey of 2-methyl-2-nonadecoxybutanoic acid?
The InChIKey is HDIZOHWZNRBBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-24(3,5-2)23(25)26/h4-22H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-2-nonadecoxybutanoic acid?
2-methyl-2-nonadecoxybutanoic acid has a molecular weight of 384.65 g/mol, XLogP of 7.91, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nonadecoxybutanoic acid is sourced from PubChem (CID 88680932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).