decyl acetate

C12H24O2 — CID 8167

IUPACdecyl acetate
SMILESCCCCCCCCCCOC(C)=O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
InChIKeyNUPSHWCALHZGOV-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.69
Rot. Bonds9

About decyl acetate

decyl acetate (PubChem CID 8167) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is decyl acetate.

Molecular Properties

Compound Namedecyl acetate
PubChem CID8167
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namedecyl acetate
SMILESCCCCCCCCCCOC(C)=O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
InChIKeyNUPSHWCALHZGOV-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octyl Acetate
CID 8164
Hexyl acetate
CID 8908
Ethyl Dodecanoate
CID 7800
Dodecyl acetate
CID 8205
Hexyl Octanoate
CID 14228
Heptyl butyrate
CID 62592
Hexyl butyrate
CID 17525
Octyl butyrate
CID 61030
Octyl propionate
CID 61096
Hexyl propionate
CID 88454
Ethyl octanoate
CID 7799
Myristyl Acetate
CID 12531

Frequently Asked Questions

What is the IUPAC name of decyl acetate?
The IUPAC name of decyl acetate (CID 8167) is decyl acetate.
What is the SMILES notation for decyl acetate?
The canonical SMILES for decyl acetate is CCCCCCCCCCOC(C)=O.
What is the InChIKey of decyl acetate?
The InChIKey is NUPSHWCALHZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3.
What are the key properties of decyl acetate?
decyl acetate has a molecular weight of 200.32 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl acetate is sourced from PubChem (CID 8167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).