methyl (Z)-2-bromooctadec-2-enoate

C19H35BrO2 — CID 11731545

IUPACmethyl (Z)-2-bromooctadec-2-enoate
SMILESCCCCCCCCCCCCCCC/C=C(\Br)C(=O)OC
InChIInChI=1S/C19H35BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h17H,3-16H2,1-2H3/b18-17-
InChIKeyUECSJCIALUHGFC-ZCXUNETKSA-N
MW375.39 g/mol
LogP6.92
Rot. Bonds15

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

methyl (Z)-2-bromooctadec-2-enoate (PubChem CID 11731545) has the molecular formula C19H35BrO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl (Z)-2-bromooctadec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-bromooctadec-2-enoate
PubChem CID11731545
Molecular FormulaC19H35BrO2
Molecular Weight375.39 g/mol
Exact Mass374.18
IUPAC Namemethyl (Z)-2-bromooctadec-2-enoate
SMILESCCCCCCCCCCCCCCC/C=C(\Br)C(=O)OC
InChIInChI=1S/C19H35BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h17H,3-16H2,1-2H3/b18-17-
InChIKeyUECSJCIALUHGFC-ZCXUNETKSA-N
XLogP6.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 56.92
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

2-Hexadecenoic acid, methyl ester, (E)-
CID 5362679
Npc102503
CID 5370350
Hexadecenoic acid methyl ester
CID 76066
Methyloctadecenat
CID 185603
Methyl (2E)-2-docosenoate
CID 12378541
Docosenoic acid methyl ester
CID 54176898
methyl (E)-icos-2-enoate
CID 14389738
Methyl heptadec-2-enoate
CID 71447229
Npc6577
CID 5362667
methyl (Z)-2-fluorononadec-2-enoate
CID 177852289
methyl (Z)-2-fluorooctadec-2-enoate
CID 177852290
methyl (Z)-2-fluoroicos-2-enoate
CID 177852291

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-bromooctadec-2-enoate?
The IUPAC name of methyl (Z)-2-bromooctadec-2-enoate (CID 11731545) is methyl (Z)-2-bromooctadec-2-enoate.
What is the SMILES notation for methyl (Z)-2-bromooctadec-2-enoate?
The canonical SMILES for methyl (Z)-2-bromooctadec-2-enoate is CCCCCCCCCCCCCCC/C=C(\Br)C(=O)OC.
What is the InChIKey of methyl (Z)-2-bromooctadec-2-enoate?
The InChIKey is UECSJCIALUHGFC-ZCXUNETKSA-N. The full InChI is InChI=1S/C19H35BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h17H,3-16H2,1-2H3/b18-17-.
What are the key properties of methyl (Z)-2-bromooctadec-2-enoate?
methyl (Z)-2-bromooctadec-2-enoate has a molecular weight of 375.39 g/mol, XLogP of 6.92, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-bromooctadec-2-enoate is sourced from PubChem (CID 11731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).