methyl (Z)-4-oxodec-7-enoate

C11H18O3 — CID 11095590

IUPACmethyl (Z)-4-oxodec-7-enoate
SMILESCC/C=C\CCC(=O)CCC(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-10(12)8-9-11(13)14-2/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyJDGUMUBITAJUDP-PLNGDYQASA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds7

About methyl (Z)-4-oxodec-7-enoate

methyl (Z)-4-oxodec-7-enoate (PubChem CID 11095590) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (Z)-4-oxodec-7-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-oxodec-7-enoate
PubChem CID11095590
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (Z)-4-oxodec-7-enoate
SMILESCC/C=C\CCC(=O)CCC(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-10(12)8-9-11(13)14-2/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyJDGUMUBITAJUDP-PLNGDYQASA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-4-oxodec-7-enoate?
The IUPAC name of methyl (Z)-4-oxodec-7-enoate (CID 11095590) is methyl (Z)-4-oxodec-7-enoate.
What is the SMILES notation for methyl (Z)-4-oxodec-7-enoate?
The canonical SMILES for methyl (Z)-4-oxodec-7-enoate is CC/C=C\CCC(=O)CCC(=O)OC.
What is the InChIKey of methyl (Z)-4-oxodec-7-enoate?
The InChIKey is JDGUMUBITAJUDP-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-6-7-10(12)8-9-11(13)14-2/h4-5H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of methyl (Z)-4-oxodec-7-enoate?
methyl (Z)-4-oxodec-7-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-oxodec-7-enoate is sourced from PubChem (CID 11095590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).