ethanol;hexadecyl acetate

C20H42O3 — CID 87919670

IUPACethanol;hexadecyl acetate
SMILESCCCCCCCCCCCCCCCCOC(C)=O.CCO
InChIInChI=1S/C18H36O2.C2H6O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19;1-2-3/h3-17H2,1-2H3;3H,2H2,1H3
InChIKeyFTMFYNKIXOSIAH-UHFFFAOYSA-N
MW330.55 g/mol
LogP6.03
Rot. Bonds15

About ethanol;hexadecyl acetate

ethanol;hexadecyl acetate (PubChem CID 87919670) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is ethanol;hexadecyl acetate.

Molecular Properties

Compound Nameethanol;hexadecyl acetate
PubChem CID87919670
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Nameethanol;hexadecyl acetate
SMILESCCCCCCCCCCCCCCCCOC(C)=O.CCO
InChIInChI=1S/C18H36O2.C2H6O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19;1-2-3/h3-17H2,1-2H3;3H,2H2,1H3
InChIKeyFTMFYNKIXOSIAH-UHFFFAOYSA-N
XLogP6.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 56.03
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
azane;tetradecyl acetate
CID 87432458
CID 162323537
CID 162323537
dodecan-1-ol;pentyl acetate
CID 174729333
calcium;hydride;octadecyl acetate
CID 174802798
magnesium;hydride;nonyl acetate
CID 174803218
ethene;nonyl acetate
CID 170451195
acetic acid;octyl acetate
CID 87556300
decyl acetate;ethyl acetate
CID 158679657
dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
CID 173341156
magnesium;hydride;pentyl acetate
CID 174803356
3-octoxypropyl acetate
CID 21272964

Frequently Asked Questions

What is the IUPAC name of ethanol;hexadecyl acetate?
The IUPAC name of ethanol;hexadecyl acetate (CID 87919670) is ethanol;hexadecyl acetate.
What is the SMILES notation for ethanol;hexadecyl acetate?
The canonical SMILES for ethanol;hexadecyl acetate is CCCCCCCCCCCCCCCCOC(C)=O.CCO.
What is the InChIKey of ethanol;hexadecyl acetate?
The InChIKey is FTMFYNKIXOSIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C2H6O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19;1-2-3/h3-17H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;hexadecyl acetate?
ethanol;hexadecyl acetate has a molecular weight of 330.55 g/mol, XLogP of 6.03, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hexadecyl acetate is sourced from PubChem (CID 87919670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).