methyl 9-methoxynon-8-enoate

C11H20O3 — CID 54349856

IUPACmethyl 9-methoxynon-8-enoate
SMILESCOC=CCCCCCCC(=O)OC
InChIInChI=1S/C11H20O3/c1-13-10-8-6-4-3-5-7-9-11(12)14-2/h8,10H,3-7,9H2,1-2H3
InChIKeyUEYPWZINQRMVOC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.66
Rot. Bonds8

About methyl 9-methoxynon-8-enoate

methyl 9-methoxynon-8-enoate (PubChem CID 54349856) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 9-methoxynon-8-enoate.

Molecular Properties

Compound Namemethyl 9-methoxynon-8-enoate
PubChem CID54349856
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 9-methoxynon-8-enoate
SMILESCOC=CCCCCCCC(=O)OC
InChIInChI=1S/C11H20O3/c1-13-10-8-6-4-3-5-7-9-11(12)14-2/h8,10H,3-7,9H2,1-2H3
InChIKeyUEYPWZINQRMVOC-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methoxynon-8-enoate?
The IUPAC name of methyl 9-methoxynon-8-enoate (CID 54349856) is methyl 9-methoxynon-8-enoate.
What is the SMILES notation for methyl 9-methoxynon-8-enoate?
The canonical SMILES for methyl 9-methoxynon-8-enoate is COC=CCCCCCCC(=O)OC.
What is the InChIKey of methyl 9-methoxynon-8-enoate?
The InChIKey is UEYPWZINQRMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-13-10-8-6-4-3-5-7-9-11(12)14-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of methyl 9-methoxynon-8-enoate?
methyl 9-methoxynon-8-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methoxynon-8-enoate is sourced from PubChem (CID 54349856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).