decyl acetate;ethyl acetate

C16H32O4 — CID 158679657

IUPACdecyl acetate;ethyl acetate
SMILESCCCCCCCCCCOC(C)=O.CCOC(C)=O
InChIInChI=1S/C12H24O2.C4H8O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13;1-3-6-4(2)5/h3-11H2,1-2H3;3H2,1-2H3
InChIKeyIEYNGVCLGSWVQO-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.26
Rot. Bonds10

About decyl acetate;ethyl acetate

decyl acetate;ethyl acetate (PubChem CID 158679657) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is decyl acetate;ethyl acetate.

Molecular Properties

Compound Namedecyl acetate;ethyl acetate
PubChem CID158679657
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Namedecyl acetate;ethyl acetate
SMILESCCCCCCCCCCOC(C)=O.CCOC(C)=O
InChIInChI=1S/C12H24O2.C4H8O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13;1-3-6-4(2)5/h3-11H2,1-2H3;3H2,1-2H3
InChIKeyIEYNGVCLGSWVQO-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
ethyl acetate;pentakis(heptane)
CID 173012961
ethyl acetate;decakis(heptane)
CID 173339657
dodecane;ethyl acetate
CID 173033257
ethanol;hexadecyl acetate
CID 87919670
magnesium;hydride;nonyl acetate
CID 174803218
calcium;hydride;octadecyl acetate
CID 174802798
ethene;nonyl acetate
CID 170451195
acetic acid;octyl acetate
CID 87556300
ethyl acetate;decakis(hexane)
CID 173035239

Frequently Asked Questions

What is the IUPAC name of decyl acetate;ethyl acetate?
The IUPAC name of decyl acetate;ethyl acetate (CID 158679657) is decyl acetate;ethyl acetate.
What is the SMILES notation for decyl acetate;ethyl acetate?
The canonical SMILES for decyl acetate;ethyl acetate is CCCCCCCCCCOC(C)=O.CCOC(C)=O.
What is the InChIKey of decyl acetate;ethyl acetate?
The InChIKey is IEYNGVCLGSWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C4H8O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13;1-3-6-4(2)5/h3-11H2,1-2H3;3H2,1-2H3.
What are the key properties of decyl acetate;ethyl acetate?
decyl acetate;ethyl acetate has a molecular weight of 288.43 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl acetate;ethyl acetate is sourced from PubChem (CID 158679657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).