tetradec-11-en-5-yl acetate

C16H30O2 — CID 54125644

IUPACtetradec-11-en-5-yl acetate
SMILESCCC=CCCCCCC(CCCC)OC(C)=O
InChIInChI=1S/C16H30O2/c1-4-6-8-9-10-11-12-14-16(13-7-5-2)18-15(3)17/h6,8,16H,4-5,7,9-14H2,1-3H3
InChIKeyNQTLDUMZFZEPEA-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds11

About tetradec-11-en-5-yl acetate

tetradec-11-en-5-yl acetate (PubChem CID 54125644) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is tetradec-11-en-5-yl acetate.

Molecular Properties

Compound Nametetradec-11-en-5-yl acetate
PubChem CID54125644
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nametetradec-11-en-5-yl acetate
SMILESCCC=CCCCCCC(CCCC)OC(C)=O
InChIInChI=1S/C16H30O2/c1-4-6-8-9-10-11-12-14-16(13-7-5-2)18-15(3)17/h6,8,16H,4-5,7,9-14H2,1-3H3
InChIKeyNQTLDUMZFZEPEA-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of tetradec-11-en-5-yl acetate?
The IUPAC name of tetradec-11-en-5-yl acetate (CID 54125644) is tetradec-11-en-5-yl acetate.
What is the SMILES notation for tetradec-11-en-5-yl acetate?
The canonical SMILES for tetradec-11-en-5-yl acetate is CCC=CCCCCCC(CCCC)OC(C)=O.
What is the InChIKey of tetradec-11-en-5-yl acetate?
The InChIKey is NQTLDUMZFZEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-6-8-9-10-11-12-14-16(13-7-5-2)18-15(3)17/h6,8,16H,4-5,7,9-14H2,1-3H3.
What are the key properties of tetradec-11-en-5-yl acetate?
tetradec-11-en-5-yl acetate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-11-en-5-yl acetate is sourced from PubChem (CID 54125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).