methyl (Z)-2-(bromomethyl)non-2-enoate

C11H19BrO2 — CID 11832244

IUPACmethyl (Z)-2-(bromomethyl)non-2-enoate
SMILESCCCCCC/C=C(\CBr)C(=O)OC
InChIInChI=1S/C11H19BrO2/c1-3-4-5-6-7-8-10(9-12)11(13)14-2/h8H,3-7,9H2,1-2H3/b10-8+
InChIKeyPSCJGFNEPATKEZ-CSKARUKUSA-N
MW263.17 g/mol
LogP3.45
Rot. Bonds7

About methyl (Z)-2-(bromomethyl)non-2-enoate

methyl (Z)-2-(bromomethyl)non-2-enoate (PubChem CID 11832244) has the molecular formula C11H19BrO2 and a molecular weight of 263.17 g/mol. Its IUPAC name is methyl (Z)-2-(bromomethyl)non-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(bromomethyl)non-2-enoate
PubChem CID11832244
Molecular FormulaC11H19BrO2
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Namemethyl (Z)-2-(bromomethyl)non-2-enoate
SMILESCCCCCC/C=C(\CBr)C(=O)OC
InChIInChI=1S/C11H19BrO2/c1-3-4-5-6-7-8-10(9-12)11(13)14-2/h8H,3-7,9H2,1-2H3/b10-8+
InChIKeyPSCJGFNEPATKEZ-CSKARUKUSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(bromomethyl)non-2-enoate?
The IUPAC name of methyl (Z)-2-(bromomethyl)non-2-enoate (CID 11832244) is methyl (Z)-2-(bromomethyl)non-2-enoate.
What is the SMILES notation for methyl (Z)-2-(bromomethyl)non-2-enoate?
The canonical SMILES for methyl (Z)-2-(bromomethyl)non-2-enoate is CCCCCC/C=C(\CBr)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(bromomethyl)non-2-enoate?
The InChIKey is PSCJGFNEPATKEZ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19BrO2/c1-3-4-5-6-7-8-10(9-12)11(13)14-2/h8H,3-7,9H2,1-2H3/b10-8+.
What are the key properties of methyl (Z)-2-(bromomethyl)non-2-enoate?
methyl (Z)-2-(bromomethyl)non-2-enoate has a molecular weight of 263.17 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(bromomethyl)non-2-enoate is sourced from PubChem (CID 11832244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).