methyl 5-methylidenenonanoate

C11H20O2 — CID 102395454

IUPACmethyl 5-methylidenenonanoate
SMILESC=C(CCCC)CCCC(=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-7-10(2)8-6-9-11(12)13-3/h2,4-9H2,1,3H3
InChIKeyFLXCIJPZKJLQLU-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About methyl 5-methylidenenonanoate

methyl 5-methylidenenonanoate (PubChem CID 102395454) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl 5-methylidenenonanoate.

Molecular Properties

Compound Namemethyl 5-methylidenenonanoate
PubChem CID102395454
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl 5-methylidenenonanoate
SMILESC=C(CCCC)CCCC(=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-7-10(2)8-6-9-11(12)13-3/h2,4-9H2,1,3H3
InChIKeyFLXCIJPZKJLQLU-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylidenenonanoate?
The IUPAC name of methyl 5-methylidenenonanoate (CID 102395454) is methyl 5-methylidenenonanoate.
What is the SMILES notation for methyl 5-methylidenenonanoate?
The canonical SMILES for methyl 5-methylidenenonanoate is C=C(CCCC)CCCC(=O)OC.
What is the InChIKey of methyl 5-methylidenenonanoate?
The InChIKey is FLXCIJPZKJLQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-7-10(2)8-6-9-11(12)13-3/h2,4-9H2,1,3H3.
What are the key properties of methyl 5-methylidenenonanoate?
methyl 5-methylidenenonanoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylidenenonanoate is sourced from PubChem (CID 102395454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).