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

C12H21BrO2 — CID 102422936

IUPACmethyl (Z)-2-(bromomethyl)dec-2-enoate
SMILESCCCCCCC/C=C(\CBr)C(=O)OC
InChIInChI=1S/C12H21BrO2/c1-3-4-5-6-7-8-9-11(10-13)12(14)15-2/h9H,3-8,10H2,1-2H3/b11-9+
InChIKeyGIRQUXKCJOICRY-PKNBQFBNSA-N
MW277.20 g/mol
LogP3.84
Rot. Bonds8

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

methyl (Z)-2-(bromomethyl)dec-2-enoate (PubChem CID 102422936) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is methyl (Z)-2-(bromomethyl)dec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(bromomethyl)dec-2-enoate
PubChem CID102422936
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Namemethyl (Z)-2-(bromomethyl)dec-2-enoate
SMILESCCCCCCC/C=C(\CBr)C(=O)OC
InChIInChI=1S/C12H21BrO2/c1-3-4-5-6-7-8-9-11(10-13)12(14)15-2/h9H,3-8,10H2,1-2H3/b11-9+
InChIKeyGIRQUXKCJOICRY-PKNBQFBNSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.84
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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Related Compounds

methyl (E)-2-(bromomethyl)dec-2-enoate
CID 121008689
methyl (E)-2-ethyldec-2-enoate
CID 25232141
methyl 2-pentylidenehexadecanoate
CID 174821215
methyl 2-methyloct-2-enoate
CID 71403822
methyl (Z)-2-butylhept-2-enoate
CID 11550182
methyl (E)-2-benzyloct-2-enoate
CID 11010254
methyl (E)-2-methylhept-2-enoate
CID 13122847
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
N,2-dimethylundec-2-enamide
CID 4562078
(Z)-2-methoxypentadec-2-enoic acid
CID 87404776
methyl 2-(1-hydroxy-2-oxopropyl)heptacos-2-enoate
CID 75068995
methyl 2-(1-hydroxy-2-oxopropyl)dodec-2-enoate
CID 72952508

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(bromomethyl)dec-2-enoate?
The IUPAC name of methyl (Z)-2-(bromomethyl)dec-2-enoate (CID 102422936) is methyl (Z)-2-(bromomethyl)dec-2-enoate.
What is the SMILES notation for methyl (Z)-2-(bromomethyl)dec-2-enoate?
The canonical SMILES for methyl (Z)-2-(bromomethyl)dec-2-enoate is CCCCCCC/C=C(\CBr)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(bromomethyl)dec-2-enoate?
The InChIKey is GIRQUXKCJOICRY-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-3-4-5-6-7-8-9-11(10-13)12(14)15-2/h9H,3-8,10H2,1-2H3/b11-9+.
What are the key properties of methyl (Z)-2-(bromomethyl)dec-2-enoate?
methyl (Z)-2-(bromomethyl)dec-2-enoate has a molecular weight of 277.20 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(bromomethyl)dec-2-enoate is sourced from PubChem (CID 102422936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).