methyl (E)-15-methylhexadec-11-enoate

C18H34O2 — CID 5364661

IUPACmethyl (E)-15-methylhexadec-11-enoate
SMILESCOC(=O)CCCCCCCCC/C=C/CCC(C)C
InChIInChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h9,11,17H,4-8,10,12-16H2,1-3H3/b11-9+
InChIKeyMDNZAJLOTUSAIW-PKNBQFBNSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds13

About methyl (E)-15-methylhexadec-11-enoate

methyl (E)-15-methylhexadec-11-enoate (PubChem CID 5364661) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is methyl (E)-15-methylhexadec-11-enoate.

Molecular Properties

Compound Namemethyl (E)-15-methylhexadec-11-enoate
PubChem CID5364661
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namemethyl (E)-15-methylhexadec-11-enoate
SMILESCOC(=O)CCCCCCCCC/C=C/CCC(C)C
InChIInChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h9,11,17H,4-8,10,12-16H2,1-3H3/b11-9+
InChIKeyMDNZAJLOTUSAIW-PKNBQFBNSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.66
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

methyl 14-methylpentadec-10-enoate
CID 118599301
methyl (Z)-28-methyl-20,25-dioxononacos-10-enoate
CID 91065642
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl 12-methyltridec-9-enoate
CID 140574334
methyl (Z)-17-methyloctadec-4-enoate
CID 10686436
methyl (Z,14R)-14-methylhexadec-7-enoate
CID 170988097
methyl (E)-14-methylhexadec-9-enoate
CID 91695396
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
dimethyl (E)-hexacos-3-enedioate
CID 118195406
methyl 21-methyldocosanoate
CID 14178788
methyl (E)-octadec-12-enoate
CID 5364503
(Z)-16-methoxy-16-oxohexadec-7-enoic acid
CID 156891963

Frequently Asked Questions

What is the IUPAC name of methyl (E)-15-methylhexadec-11-enoate?
The IUPAC name of methyl (E)-15-methylhexadec-11-enoate (CID 5364661) is methyl (E)-15-methylhexadec-11-enoate.
What is the SMILES notation for methyl (E)-15-methylhexadec-11-enoate?
The canonical SMILES for methyl (E)-15-methylhexadec-11-enoate is COC(=O)CCCCCCCCC/C=C/CCC(C)C.
What is the InChIKey of methyl (E)-15-methylhexadec-11-enoate?
The InChIKey is MDNZAJLOTUSAIW-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h9,11,17H,4-8,10,12-16H2,1-3H3/b11-9+.
What are the key properties of methyl (E)-15-methylhexadec-11-enoate?
methyl (E)-15-methylhexadec-11-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-15-methylhexadec-11-enoate is sourced from PubChem (CID 5364661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).