methyl 10-methoxy-8-oxooctadec-9-enoate

C20H36O4 — CID 162995324

IUPACmethyl 10-methoxy-8-oxooctadec-9-enoate
SMILESCCCCCCCCC(=CC(=O)CCCCCCC(=O)OC)OC
InChIInChI=1S/C20H36O4/c1-4-5-6-7-8-12-15-19(23-2)17-18(21)14-11-9-10-13-16-20(22)24-3/h17H,4-16H2,1-3H3
InChIKeyYJUGEDOVVZWVQY-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.35
Rot. Bonds16

About methyl 10-methoxy-8-oxooctadec-9-enoate

methyl 10-methoxy-8-oxooctadec-9-enoate (PubChem CID 162995324) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is methyl 10-methoxy-8-oxooctadec-9-enoate.

Molecular Properties

Compound Namemethyl 10-methoxy-8-oxooctadec-9-enoate
PubChem CID162995324
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Namemethyl 10-methoxy-8-oxooctadec-9-enoate
SMILESCCCCCCCCC(=CC(=O)CCCCCCC(=O)OC)OC
InChIInChI=1S/C20H36O4/c1-4-5-6-7-8-12-15-19(23-2)17-18(21)14-11-9-10-13-16-20(22)24-3/h17H,4-16H2,1-3H3
InChIKeyYJUGEDOVVZWVQY-UHFFFAOYSA-N
XLogP5.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl Oleate
CID 5364509
Methyl linoleate
CID 5284421
Methyl Linolenate
CID 5319706
Methyl palmitoleate
CID 643801
Methyl elaidate
CID 5280590
Methyl linolelaidate
CID 5362793
Methyl 9,12-octadecadienoate
CID 8203
9-Octadecenoic acid, methyl ester
CID 8202
Methyl gadoleate
CID 13908975
methyl (Z)-7-hexadecenoate
CID 14029831
Methyl dihomo-gamma-linolenate
CID 5363092
Methyl erucate
CID 5364423

Frequently Asked Questions

What is the IUPAC name of methyl 10-methoxy-8-oxooctadec-9-enoate?
The IUPAC name of methyl 10-methoxy-8-oxooctadec-9-enoate (CID 162995324) is methyl 10-methoxy-8-oxooctadec-9-enoate.
What is the SMILES notation for methyl 10-methoxy-8-oxooctadec-9-enoate?
The canonical SMILES for methyl 10-methoxy-8-oxooctadec-9-enoate is CCCCCCCCC(=CC(=O)CCCCCCC(=O)OC)OC.
What is the InChIKey of methyl 10-methoxy-8-oxooctadec-9-enoate?
The InChIKey is YJUGEDOVVZWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-4-5-6-7-8-12-15-19(23-2)17-18(21)14-11-9-10-13-16-20(22)24-3/h17H,4-16H2,1-3H3.
What are the key properties of methyl 10-methoxy-8-oxooctadec-9-enoate?
methyl 10-methoxy-8-oxooctadec-9-enoate has a molecular weight of 340.50 g/mol, XLogP of 5.35, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methoxy-8-oxooctadec-9-enoate is sourced from PubChem (CID 162995324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).