[(E)-8-methyldodec-7-enyl] acetate

C15H28O2 — CID 5363227

IUPAC[(E)-8-methyldodec-7-enyl] acetate
SMILESCCCC/C(C)=C/CCCCCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-11-14(2)12-9-7-6-8-10-13-17-15(3)16/h12H,4-11,13H2,1-3H3/b14-12+
InChIKeyKQRDDMDEIBMDFY-WYMLVPIESA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds10

About [(E)-8-methyldodec-7-enyl] acetate

[(E)-8-methyldodec-7-enyl] acetate (PubChem CID 5363227) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-8-methyldodec-7-enyl] acetate.

Molecular Properties

Compound Name[(E)-8-methyldodec-7-enyl] acetate
PubChem CID5363227
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(E)-8-methyldodec-7-enyl] acetate
SMILESCCCC/C(C)=C/CCCCCCOC(C)=O
InChIInChI=1S/C15H28O2/c1-4-5-11-14(2)12-9-7-6-8-10-13-17-15(3)16/h12H,4-11,13H2,1-3H3/b14-12+
InChIKeyKQRDDMDEIBMDFY-WYMLVPIESA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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

Citronellyl Acetate
CID 9017
11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
Citronellyl propionate
CID 8834
(Z)-9-Tetradecenyl acetate
CID 5364714
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
1-p-Menthen-9-yl acetate
CID 527144
Citronellyl isobutyrate
CID 60985
Prodlure
CID 6441057
(Z)-7-dodecenyl acetate
CID 5363527
11-Hexadecenyl acetate, (11Z)-
CID 5364711
6-Nonenyl acetate, (6Z)-
CID 5363389

Frequently Asked Questions

What is the IUPAC name of [(E)-8-methyldodec-7-enyl] acetate?
The IUPAC name of [(E)-8-methyldodec-7-enyl] acetate (CID 5363227) is [(E)-8-methyldodec-7-enyl] acetate.
What is the SMILES notation for [(E)-8-methyldodec-7-enyl] acetate?
The canonical SMILES for [(E)-8-methyldodec-7-enyl] acetate is CCCC/C(C)=C/CCCCCCOC(C)=O.
What is the InChIKey of [(E)-8-methyldodec-7-enyl] acetate?
The InChIKey is KQRDDMDEIBMDFY-WYMLVPIESA-N. The full InChI is InChI=1S/C15H28O2/c1-4-5-11-14(2)12-9-7-6-8-10-13-17-15(3)16/h12H,4-11,13H2,1-3H3/b14-12+.
What are the key properties of [(E)-8-methyldodec-7-enyl] acetate?
[(E)-8-methyldodec-7-enyl] acetate has a molecular weight of 240.39 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-methyldodec-7-enyl] acetate is sourced from PubChem (CID 5363227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).