methyl dec-4-enoate

C11H20O2 — CID 23833

IUPACmethyl dec-4-enoate
SMILESCCCCCC=CCCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCRHITZQXHNFRAZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About methyl dec-4-enoate

methyl dec-4-enoate (PubChem CID 23833) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl dec-4-enoate.

Molecular Properties

Compound Namemethyl dec-4-enoate
PubChem CID23833
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl dec-4-enoate
SMILESCCCCCC=CCCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyCRHITZQXHNFRAZ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl dec-4-enoate?
The IUPAC name of methyl dec-4-enoate (CID 23833) is methyl dec-4-enoate.
What is the SMILES notation for methyl dec-4-enoate?
The canonical SMILES for methyl dec-4-enoate is CCCCCC=CCCC(=O)OC.
What is the InChIKey of methyl dec-4-enoate?
The InChIKey is CRHITZQXHNFRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of methyl dec-4-enoate?
methyl dec-4-enoate 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 dec-4-enoate is sourced from PubChem (CID 23833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).