1-ethoxytetradec-1-yne

C16H30O — CID 11075510

IUPAC1-ethoxytetradec-1-yne
SMILESCCCCCCCCCCCCC#COCC
InChIInChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h3-14H2,1-2H3
InChIKeySVTOYKXTBOCTKX-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.29
Rot. Bonds11

About 1-ethoxytetradec-1-yne

1-ethoxytetradec-1-yne (PubChem CID 11075510) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-ethoxytetradec-1-yne.

Molecular Properties

Compound Name1-ethoxytetradec-1-yne
PubChem CID11075510
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-ethoxytetradec-1-yne
SMILESCCCCCCCCCCCCC#COCC
InChIInChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h3-14H2,1-2H3
InChIKeySVTOYKXTBOCTKX-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxytetradec-1-yne?
The IUPAC name of 1-ethoxytetradec-1-yne (CID 11075510) is 1-ethoxytetradec-1-yne.
What is the SMILES notation for 1-ethoxytetradec-1-yne?
The canonical SMILES for 1-ethoxytetradec-1-yne is CCCCCCCCCCCCC#COCC.
What is the InChIKey of 1-ethoxytetradec-1-yne?
The InChIKey is SVTOYKXTBOCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h3-14H2,1-2H3.
What are the key properties of 1-ethoxytetradec-1-yne?
1-ethoxytetradec-1-yne has a molecular weight of 238.41 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxytetradec-1-yne is sourced from PubChem (CID 11075510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).