dodecyl acetate

C14H28O2 — CID 8205

IUPACdodecyl acetate
SMILESCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
InChIKeyVZWGRQBCURJOMT-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.47
Rot. Bonds11

About dodecyl acetate

dodecyl acetate (PubChem CID 8205) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is dodecyl acetate.

Molecular Properties

Compound Namedodecyl acetate
PubChem CID8205
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Namedodecyl acetate
SMILESCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
InChIKeyVZWGRQBCURJOMT-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of dodecyl acetate?
The IUPAC name of dodecyl acetate (CID 8205) is dodecyl acetate.
What is the SMILES notation for dodecyl acetate?
The canonical SMILES for dodecyl acetate is CCCCCCCCCCCCOC(C)=O.
What is the InChIKey of dodecyl acetate?
The InChIKey is VZWGRQBCURJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3.
What are the key properties of dodecyl acetate?
dodecyl acetate has a molecular weight of 228.38 g/mol, XLogP of 4.47, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl acetate is sourced from PubChem (CID 8205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).