14-ethoxytetradecane-1,3-diol

C16H34O3 — CID 57222760

IUPAC14-ethoxytetradecane-1,3-diol
SMILESCCOCCCCCCCCCCCC(O)CCO
InChIInChI=1S/C16H34O3/c1-2-19-15-11-9-7-5-3-4-6-8-10-12-16(18)13-14-17/h16-18H,2-15H2,1H3
InChIKeyKBICFDHHZTZDFF-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.67
Rot. Bonds15

About 14-ethoxytetradecane-1,3-diol

14-ethoxytetradecane-1,3-diol (PubChem CID 57222760) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 14-ethoxytetradecane-1,3-diol.

Molecular Properties

Compound Name14-ethoxytetradecane-1,3-diol
PubChem CID57222760
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name14-ethoxytetradecane-1,3-diol
SMILESCCOCCCCCCCCCCCC(O)CCO
InChIInChI=1S/C16H34O3/c1-2-19-15-11-9-7-5-3-4-6-8-10-12-16(18)13-14-17/h16-18H,2-15H2,1H3
InChIKeyKBICFDHHZTZDFF-UHFFFAOYSA-N
XLogP3.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.67
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

5-ethoxypentane-1,3-diol
CID 87719157
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
CID 175620822
1,19-dibutoxynonadecan-10-ol
CID 129293593
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
1-ethoxytetratriacont-25-en-17-ol
CID 123371812
17-(hydroxymethoxy)heptadecan-7-ol
CID 122659082
10-ethoxydecan-1-ol
CID 22412883
methyl 8-ethoxy-4-hydroxyoctanoate
CID 138564422
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
1-ethoxy-17-methyloctadecane
CID 91042875
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285

Frequently Asked Questions

What is the IUPAC name of 14-ethoxytetradecane-1,3-diol?
The IUPAC name of 14-ethoxytetradecane-1,3-diol (CID 57222760) is 14-ethoxytetradecane-1,3-diol.
What is the SMILES notation for 14-ethoxytetradecane-1,3-diol?
The canonical SMILES for 14-ethoxytetradecane-1,3-diol is CCOCCCCCCCCCCCC(O)CCO.
What is the InChIKey of 14-ethoxytetradecane-1,3-diol?
The InChIKey is KBICFDHHZTZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-2-19-15-11-9-7-5-3-4-6-8-10-12-16(18)13-14-17/h16-18H,2-15H2,1H3.
What are the key properties of 14-ethoxytetradecane-1,3-diol?
14-ethoxytetradecane-1,3-diol has a molecular weight of 274.44 g/mol, XLogP of 3.67, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethoxytetradecane-1,3-diol is sourced from PubChem (CID 57222760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).