methyl (Z)-2-bromonon-2-enoate

C10H17BrO2 — CID 134897705

IUPACmethyl (Z)-2-bromonon-2-enoate
SMILESCCCCCC/C=C(\Br)C(=O)OC
InChIInChI=1S/C10H17BrO2/c1-3-4-5-6-7-8-9(11)10(12)13-2/h8H,3-7H2,1-2H3/b9-8-
InChIKeyKZSQZVJCTURJKL-HJWRWDBZSA-N
MW249.15 g/mol
LogP3.41
Rot. Bonds6

About methyl (Z)-2-bromonon-2-enoate

methyl (Z)-2-bromonon-2-enoate (PubChem CID 134897705) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is methyl (Z)-2-bromonon-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-bromonon-2-enoate
PubChem CID134897705
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Namemethyl (Z)-2-bromonon-2-enoate
SMILESCCCCCC/C=C(\Br)C(=O)OC
InChIInChI=1S/C10H17BrO2/c1-3-4-5-6-7-8-9(11)10(12)13-2/h8H,3-7H2,1-2H3/b9-8-
InChIKeyKZSQZVJCTURJKL-HJWRWDBZSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-nonenoate
CID 5368076
Methyl (Z)-2-nonenoate
CID 5357388
Nonenoic acid, methyl ester
CID 8136
methyl (S,Z)-2-bromo-4-methylhex-2-enoate
CID 10878704
methyl (Z)-2-bromopent-2-enoate
CID 134901650
methyl (E)-2-triethylgermyloct-2-enoate
CID 11565899
Monobromo methyl octadecenoate
CID 11731545
ethyl (E)-4-bromodec-2-enoate
CID 14510782
methyl (Z)-2-bromohept-2-enoate
CID 15366101
ethyl (Z)-2-bromooct-2-enoate
CID 21575667
Methyl 4-bromo-trans-2-hexadecenoate
CID 92040377
Methyl (e)-2-bromohex-2-enoate
CID 129696374

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-bromonon-2-enoate?
The IUPAC name of methyl (Z)-2-bromonon-2-enoate (CID 134897705) is methyl (Z)-2-bromonon-2-enoate.
What is the SMILES notation for methyl (Z)-2-bromonon-2-enoate?
The canonical SMILES for methyl (Z)-2-bromonon-2-enoate is CCCCCC/C=C(\Br)C(=O)OC.
What is the InChIKey of methyl (Z)-2-bromonon-2-enoate?
The InChIKey is KZSQZVJCTURJKL-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-3-4-5-6-7-8-9(11)10(12)13-2/h8H,3-7H2,1-2H3/b9-8-.
What are the key properties of methyl (Z)-2-bromonon-2-enoate?
methyl (Z)-2-bromonon-2-enoate has a molecular weight of 249.15 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-bromonon-2-enoate is sourced from PubChem (CID 134897705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).