2-methoxyhexadecanoic acid

C17H34O3 — CID 656825

IUPAC2-methoxyhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(OC)C(=O)O
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyYNBIUHDYZWCBSF-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.18
Rot. Bonds15

About 2-methoxyhexadecanoic acid

2-methoxyhexadecanoic acid (PubChem CID 656825) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methoxyhexadecanoic acid.

Molecular Properties

Compound Name2-methoxyhexadecanoic acid
PubChem CID656825
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2-methoxyhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(OC)C(=O)O
InChIInChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyYNBIUHDYZWCBSF-UHFFFAOYSA-N
XLogP5.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.18
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-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
(2S)-2-methoxyhexanoic acid
CID 129373931
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
2,7-dimethoxyoctanedioic acid
CID 22717305
2-ethoxyicosanoic acid
CID 86106777
4-methoxydecan-3-one
CID 83226087
4-methoxyundecan-3-one
CID 83225236
2-cyanatooctanoic acid
CID 146513999
2-acetyloxyhexadecanoic acid
CID 15599534
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-decoxydecanoic acid
CID 152638766

Frequently Asked Questions

What is the IUPAC name of 2-methoxyhexadecanoic acid?
The IUPAC name of 2-methoxyhexadecanoic acid (CID 656825) is 2-methoxyhexadecanoic acid.
What is the SMILES notation for 2-methoxyhexadecanoic acid?
The canonical SMILES for 2-methoxyhexadecanoic acid is CCCCCCCCCCCCCCC(OC)C(=O)O.
What is the InChIKey of 2-methoxyhexadecanoic acid?
The InChIKey is YNBIUHDYZWCBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19).
What are the key properties of 2-methoxyhexadecanoic acid?
2-methoxyhexadecanoic acid has a molecular weight of 286.46 g/mol, XLogP of 5.18, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhexadecanoic acid is sourced from PubChem (CID 656825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).