tridecyl acetate

C15H30O2 — CID 14071

IUPACtridecyl acetate
SMILESCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-14H2,1-2H3
InChIKeyZDRNMODJXFOYMN-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.86
Rot. Bonds12

About tridecyl acetate

tridecyl acetate (PubChem CID 14071) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is tridecyl acetate.

Molecular Properties

Compound Nametridecyl acetate
PubChem CID14071
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Nametridecyl acetate
SMILESCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-14H2,1-2H3
InChIKeyZDRNMODJXFOYMN-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.86
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
Ethyl Dodecanoate
CID 7800
Hexyl Acetate
CID 8908
Dodecyl acetate
CID 8205
Decyl acetate
CID 8167
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

Frequently Asked Questions

What is the IUPAC name of tridecyl acetate?
The IUPAC name of tridecyl acetate (CID 14071) is tridecyl acetate.
What is the SMILES notation for tridecyl acetate?
The canonical SMILES for tridecyl acetate is CCCCCCCCCCCCCOC(C)=O.
What is the InChIKey of tridecyl acetate?
The InChIKey is ZDRNMODJXFOYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-14H2,1-2H3.
What are the key properties of tridecyl acetate?
tridecyl acetate has a molecular weight of 242.40 g/mol, XLogP of 4.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl acetate is sourced from PubChem (CID 14071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).