methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate

C15H26O2 — CID 56935979

IUPACmethyl (5E)-2,6,10-trimethylundeca-5,9-dienoate
SMILESCOC(=O)C(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(16)17-5/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKeySCYKTOMXCGXHLC-JLHYYAGUSA-N
MW238.37 g/mol
LogP4.27
Rot. Bonds7

About methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate

methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate (PubChem CID 56935979) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate.

Molecular Properties

Compound Namemethyl (5E)-2,6,10-trimethylundeca-5,9-dienoate
PubChem CID56935979
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl (5E)-2,6,10-trimethylundeca-5,9-dienoate
SMILESCOC(=O)C(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(16)17-5/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKeySCYKTOMXCGXHLC-JLHYYAGUSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl propionate
CID 8834
Citronellyl butyrate
CID 8835
Citronellyl isobutyrate
CID 60985
Methyl rhodinolate
CID 61290
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Citronellyl valerate
CID 61416
Citronellyl isovalerate
CID 111440
Methyl 5-octenoate, (5Z)-
CID 6914062
Methyl chrysanthemate
CID 91127
3-Cyclohexene-1-carboxylic acid, methyl ester
CID 96926
3,7-Dimethyloct-6-enyl 2-methylbutyrate
CID 3020680
Lavandulyl butyrate
CID 88025427

Frequently Asked Questions

What is the IUPAC name of methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate?
The IUPAC name of methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate (CID 56935979) is methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate.
What is the SMILES notation for methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate?
The canonical SMILES for methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate is COC(=O)C(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate?
The InChIKey is SCYKTOMXCGXHLC-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)15(16)17-5/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+.
What are the key properties of methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate?
methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate has a molecular weight of 238.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E)-2,6,10-trimethylundeca-5,9-dienoate is sourced from PubChem (CID 56935979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).