azane;tetradecyl acetate

C16H35NO2 — CID 87432458

IUPACazane;tetradecyl acetate
SMILESCCCCCCCCCCCCCCOC(C)=O.N
InChIInChI=1S/C16H32O2.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17;/h3-15H2,1-2H3;1H3
InChIKeyPZITWUYIDYHVJZ-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.41
Rot. Bonds13

About azane;tetradecyl acetate

azane;tetradecyl acetate (PubChem CID 87432458) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is azane;tetradecyl acetate.

Molecular Properties

Compound Nameazane;tetradecyl acetate
PubChem CID87432458
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameazane;tetradecyl acetate
SMILESCCCCCCCCCCCCCCOC(C)=O.N
InChIInChI=1S/C16H32O2.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17;/h3-15H2,1-2H3;1H3
InChIKeyPZITWUYIDYHVJZ-UHFFFAOYSA-N
XLogP5.41
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alumane;hexyl acetate
CID 174832794
CID 162323537
CID 162323537
magnesium;hydride;nonyl acetate
CID 174803218
ethanol;hexadecyl acetate
CID 87919670
calcium;hydride;octadecyl acetate
CID 174802798
ethene;nonyl acetate
CID 170451195
acetic acid;octyl acetate
CID 87556300
decyl acetate;ethyl acetate
CID 158679657
magnesium;hydride;pentyl acetate
CID 174803356
3-octoxypropyl acetate
CID 21272964
dodecan-1-ol;pentyl acetate
CID 174729333
octane;propyl acetate
CID 174786724

Frequently Asked Questions

What is the IUPAC name of azane;tetradecyl acetate?
The IUPAC name of azane;tetradecyl acetate (CID 87432458) is azane;tetradecyl acetate.
What is the SMILES notation for azane;tetradecyl acetate?
The canonical SMILES for azane;tetradecyl acetate is CCCCCCCCCCCCCCOC(C)=O.N.
What is the InChIKey of azane;tetradecyl acetate?
The InChIKey is PZITWUYIDYHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17;/h3-15H2,1-2H3;1H3.
What are the key properties of azane;tetradecyl acetate?
azane;tetradecyl acetate has a molecular weight of 273.46 g/mol, XLogP of 5.41, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tetradecyl acetate is sourced from PubChem (CID 87432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).