2-nonadecoxyacetic acid

C21H42O3 — CID 91373626

IUPAC2-nonadecoxyacetic acid
SMILESCCCCCCCCCCCCCCCCCCCOCC(=O)O
InChIInChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKeyCMTXHVLOLJBRNU-UHFFFAOYSA-N
MW342.56 g/mol
LogP6.74
Rot. Bonds20

About 2-nonadecoxyacetic acid

2-nonadecoxyacetic acid (PubChem CID 91373626) has the molecular formula C21H42O3 and a molecular weight of 342.56 g/mol. Its IUPAC name is 2-nonadecoxyacetic acid.

Molecular Properties

Compound Name2-nonadecoxyacetic acid
PubChem CID91373626
Molecular FormulaC21H42O3
Molecular Weight342.56 g/mol
Exact Mass342.31
IUPAC Name2-nonadecoxyacetic acid
SMILESCCCCCCCCCCCCCCCCCCCOCC(=O)O
InChIInChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(22)23/h2-20H2,1H3,(H,22,23)
InChIKeyCMTXHVLOLJBRNU-UHFFFAOYSA-N
XLogP6.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 56.74
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-pentadecoxyacetic acid
CID 19866534
2-octadecoxyacetic acid
CID 4147678
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
sodium;2-dodecoxyacetic acid;hydride
CID 173155180
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
sodium;2-decoxyacetic acid;hydride
CID 173154900
2-(3-pentoxypropoxy)acetic acid
CID 87690059
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
2-[4-[(1R,2S)-2-octylcyclopentyl]butoxy]acetic acid
CID 22791217

Frequently Asked Questions

What is the IUPAC name of 2-nonadecoxyacetic acid?
The IUPAC name of 2-nonadecoxyacetic acid (CID 91373626) is 2-nonadecoxyacetic acid.
What is the SMILES notation for 2-nonadecoxyacetic acid?
The canonical SMILES for 2-nonadecoxyacetic acid is CCCCCCCCCCCCCCCCCCCOCC(=O)O.
What is the InChIKey of 2-nonadecoxyacetic acid?
The InChIKey is CMTXHVLOLJBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(22)23/h2-20H2,1H3,(H,22,23).
What are the key properties of 2-nonadecoxyacetic acid?
2-nonadecoxyacetic acid has a molecular weight of 342.56 g/mol, XLogP of 6.74, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonadecoxyacetic acid is sourced from PubChem (CID 91373626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).