methyl (Z)-7-methylhexadec-6-enoate

C18H34O2 — CID 5364813

IUPACmethyl (Z)-7-methylhexadec-6-enoate
SMILESCCCCCCCCC/C(C)=C\CCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3/b17-15-
InChIKeyOQDOMEGWVNDDSV-ICFOKQHNSA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds13

About methyl (Z)-7-methylhexadec-6-enoate

methyl (Z)-7-methylhexadec-6-enoate (PubChem CID 5364813) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is methyl (Z)-7-methylhexadec-6-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-methylhexadec-6-enoate
PubChem CID5364813
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namemethyl (Z)-7-methylhexadec-6-enoate
SMILESCCCCCCCCC/C(C)=C\CCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3/b17-15-
InChIKeyOQDOMEGWVNDDSV-ICFOKQHNSA-N
XLogP5.81
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 ≤ 55.81
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 methyl (Z)-7-methylhexadec-6-enoate?
The IUPAC name of methyl (Z)-7-methylhexadec-6-enoate (CID 5364813) is methyl (Z)-7-methylhexadec-6-enoate.
What is the SMILES notation for methyl (Z)-7-methylhexadec-6-enoate?
The canonical SMILES for methyl (Z)-7-methylhexadec-6-enoate is CCCCCCCCC/C(C)=C\CCCCC(=O)OC.
What is the InChIKey of methyl (Z)-7-methylhexadec-6-enoate?
The InChIKey is OQDOMEGWVNDDSV-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20-3/h15H,4-14,16H2,1-3H3/b17-15-.
What are the key properties of methyl (Z)-7-methylhexadec-6-enoate?
methyl (Z)-7-methylhexadec-6-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-methylhexadec-6-enoate is sourced from PubChem (CID 5364813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).