methyl 10-methylidene-9-oxooctadecanoate

C20H36O3 — CID 14582211

IUPACmethyl 10-methylidene-9-oxooctadecanoate
SMILESC=C(CCCCCCCC)C(=O)CCCCCCCC(=O)OC
InChIInChI=1S/C20H36O3/c1-4-5-6-7-9-12-15-18(2)19(21)16-13-10-8-11-14-17-20(22)23-3/h2,4-17H2,1,3H3
InChIKeyAWMXPBUJOVHPKE-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.77
Rot. Bonds16

About methyl 10-methylidene-9-oxooctadecanoate

methyl 10-methylidene-9-oxooctadecanoate (PubChem CID 14582211) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is methyl 10-methylidene-9-oxooctadecanoate.

Molecular Properties

Compound Namemethyl 10-methylidene-9-oxooctadecanoate
PubChem CID14582211
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Namemethyl 10-methylidene-9-oxooctadecanoate
SMILESC=C(CCCCCCCC)C(=O)CCCCCCCC(=O)OC
InChIInChI=1S/C20H36O3/c1-4-5-6-7-9-12-15-18(2)19(21)16-13-10-8-11-14-17-20(22)23-3/h2,4-17H2,1,3H3
InChIKeyAWMXPBUJOVHPKE-UHFFFAOYSA-N
XLogP5.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl-12-oxo-trans-10-octadecenoate
CID 5284424
Methyl 5-oxocyclopent-1-ene-1-heptanoate
CID 2777884
Methyl 9-methylene-8-oxoheptadecanoate
CID 14582212
Methyl 11-metyloctadec-11-enoate
CID 129724998
10-Methylidene-9-oxooctadecanoic acid
CID 163189932
9-Methylidene-8-oxoheptadecanoic acid
CID 163195811
(e)-8-Oxo-9-octadecenoate methyl ester
CID 9861520
10-Octylundec-10-enoic acid, methyl ester
CID 593519
Methyl 2-methylidenedecanoate
CID 12555036
Ethyl 2-methylenetridecanoate
CID 13661680
Methyl 6-(tributylstannylmethyl)hept-6-enoate
CID 14078440
Methyl 5-methylidenenonanoate
CID 102395454

Frequently Asked Questions

What is the IUPAC name of methyl 10-methylidene-9-oxooctadecanoate?
The IUPAC name of methyl 10-methylidene-9-oxooctadecanoate (CID 14582211) is methyl 10-methylidene-9-oxooctadecanoate.
What is the SMILES notation for methyl 10-methylidene-9-oxooctadecanoate?
The canonical SMILES for methyl 10-methylidene-9-oxooctadecanoate is C=C(CCCCCCCC)C(=O)CCCCCCCC(=O)OC.
What is the InChIKey of methyl 10-methylidene-9-oxooctadecanoate?
The InChIKey is AWMXPBUJOVHPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-4-5-6-7-9-12-15-18(2)19(21)16-13-10-8-11-14-17-20(22)23-3/h2,4-17H2,1,3H3.
What are the key properties of methyl 10-methylidene-9-oxooctadecanoate?
methyl 10-methylidene-9-oxooctadecanoate has a molecular weight of 324.51 g/mol, XLogP of 5.77, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methylidene-9-oxooctadecanoate is sourced from PubChem (CID 14582211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).