14-(2-hydroxyethoxy)pentadecanoic acid

C17H34O4 — CID 173440000

IUPAC14-(2-hydroxyethoxy)pentadecanoic acid
SMILESCC(CCCCCCCCCCCCC(=O)O)OCCO
InChIInChI=1S/C17H34O4/c1-16(21-15-14-18)12-10-8-6-4-2-3-5-7-9-11-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyLADGUDUGJHKIDF-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.15
Rot. Bonds16

About 14-(2-hydroxyethoxy)pentadecanoic acid

14-(2-hydroxyethoxy)pentadecanoic acid (PubChem CID 173440000) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 14-(2-hydroxyethoxy)pentadecanoic acid.

Molecular Properties

Compound Name14-(2-hydroxyethoxy)pentadecanoic acid
PubChem CID173440000
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name14-(2-hydroxyethoxy)pentadecanoic acid
SMILESCC(CCCCCCCCCCCCC(=O)O)OCCO
InChIInChI=1S/C17H34O4/c1-16(21-15-14-18)12-10-8-6-4-2-3-5-7-9-11-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyLADGUDUGJHKIDF-UHFFFAOYSA-N
XLogP4.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-acetyloxyoctanoic acid
CID 14119881
2-(5-carboxypentan-2-yloxy)ethyl-trimethylazanium
CID 166880021
2-decan-2-yloxyethanol;sulfuric acid
CID 158151690
11-hydroxy-8-methylundecanoic acid
CID 87789890
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385
19-methylheptatriacontanedioic acid
CID 141009772
16-methylheptadecanoic acid
CID 87200881
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305
methoxymethane;16-methylheptadecanoic acid
CID 175921970
8-hydroxy-7-[2-(2-hydroxyethoxy)ethoxy]octanoic acid
CID 87833103
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
azane;16-methylheptadecanoic acid
CID 161380406

Frequently Asked Questions

What is the IUPAC name of 14-(2-hydroxyethoxy)pentadecanoic acid?
The IUPAC name of 14-(2-hydroxyethoxy)pentadecanoic acid (CID 173440000) is 14-(2-hydroxyethoxy)pentadecanoic acid.
What is the SMILES notation for 14-(2-hydroxyethoxy)pentadecanoic acid?
The canonical SMILES for 14-(2-hydroxyethoxy)pentadecanoic acid is CC(CCCCCCCCCCCCC(=O)O)OCCO.
What is the InChIKey of 14-(2-hydroxyethoxy)pentadecanoic acid?
The InChIKey is LADGUDUGJHKIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-16(21-15-14-18)12-10-8-6-4-2-3-5-7-9-11-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20).
What are the key properties of 14-(2-hydroxyethoxy)pentadecanoic acid?
14-(2-hydroxyethoxy)pentadecanoic acid has a molecular weight of 302.46 g/mol, XLogP of 4.15, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-hydroxyethoxy)pentadecanoic acid is sourced from PubChem (CID 173440000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).