tridec-11-enyl acetate

C15H28O2 — CID 537063

IUPACtridec-11-enyl acetate
SMILESCC=CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4H,5-14H2,1-2H3
InChIKeyMNOWBWZEFOISCB-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds11

About tridec-11-enyl acetate

tridec-11-enyl acetate (PubChem CID 537063) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is tridec-11-enyl acetate.

Molecular Properties

Compound Nametridec-11-enyl acetate
PubChem CID537063
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nametridec-11-enyl acetate
SMILESCC=CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4H,5-14H2,1-2H3
InChIKeyMNOWBWZEFOISCB-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-tetradec-12-enyl] acetate
CID 5365773
dec-8-enyl acetate
CID 73186998
[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
CID 102055670
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
20-acetyloxyicos-11-enyl acetate
CID 537116
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(E)-8-iodooct-7-enyl] acetate
CID 14157625
pent-3-enyl acetate
CID 54089070
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-10-enyl] acetate
CID 13086957
octadec-8-enyl acetate
CID 538134

Frequently Asked Questions

What is the IUPAC name of tridec-11-enyl acetate?
The IUPAC name of tridec-11-enyl acetate (CID 537063) is tridec-11-enyl acetate.
What is the SMILES notation for tridec-11-enyl acetate?
The canonical SMILES for tridec-11-enyl acetate is CC=CCCCCCCCCCCOC(C)=O.
What is the InChIKey of tridec-11-enyl acetate?
The InChIKey is MNOWBWZEFOISCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4H,5-14H2,1-2H3.
What are the key properties of tridec-11-enyl acetate?
tridec-11-enyl acetate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-11-enyl acetate is sourced from PubChem (CID 537063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).