tetradec-9-enyl acetate

C16H30O2 — CID 28016

IUPACtetradec-9-enyl acetate
SMILESCCCCC=CCCCCCCCCOC(C)=O
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3
InChIKeyXXPBOEBNDHAAQH-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds12

About tetradec-9-enyl acetate

tetradec-9-enyl acetate (PubChem CID 28016) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is tetradec-9-enyl acetate.

Molecular Properties

Compound Nametetradec-9-enyl acetate
PubChem CID28016
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nametetradec-9-enyl acetate
SMILESCCCCC=CCCCCCCCCOC(C)=O
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3
InChIKeyXXPBOEBNDHAAQH-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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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Related Compounds

Ethyl Oleate
CID 5363269
11-Tetradecenyl acetate, (11E)-
CID 5367650
Butyl Oleate
CID 5354342
Oxacycloheptadec-8-en-2-one, (8Z)-
CID 5365703
11-Tetradecenyl acetate, (11Z)-
CID 5367692
Ethyl linolenate
CID 5367460
(Z)-9-Tetradecenyl acetate
CID 5364714
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
Prodlure
CID 6441057
Isoambrettolide, (Z)-
CID 5355293
4-Tridecen-1-yl acetate, (4E)-
CID 5365748
Ethyl Linoleate
CID 5282184

Frequently Asked Questions

What is the IUPAC name of tetradec-9-enyl acetate?
The IUPAC name of tetradec-9-enyl acetate (CID 28016) is tetradec-9-enyl acetate.
What is the SMILES notation for tetradec-9-enyl acetate?
The canonical SMILES for tetradec-9-enyl acetate is CCCCC=CCCCCCCCCOC(C)=O.
What is the InChIKey of tetradec-9-enyl acetate?
The InChIKey is XXPBOEBNDHAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3.
What are the key properties of tetradec-9-enyl acetate?
tetradec-9-enyl acetate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-9-enyl acetate is sourced from PubChem (CID 28016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).