methyl (1Z)-2-bromocycloundecene-1-carboxylate

C13H21BrO2 — CID 12670604

IUPACmethyl (1Z)-2-bromocycloundecene-1-carboxylate
SMILESCOC(=O)/C1=C(\Br)CCCCCCCCC1
InChIInChI=1S/C13H21BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12(11)14/h2-10H2,1H3/b12-11-
InChIKeyGOIDFWAXSKIJQX-QXMHVHEDSA-N
MW289.21 g/mol
LogP4.33
Rot. Bonds1

About methyl (1Z)-2-bromocycloundecene-1-carboxylate

methyl (1Z)-2-bromocycloundecene-1-carboxylate (PubChem CID 12670604) has the molecular formula C13H21BrO2 and a molecular weight of 289.21 g/mol. Its IUPAC name is methyl (1Z)-2-bromocycloundecene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1Z)-2-bromocycloundecene-1-carboxylate
PubChem CID12670604
Molecular FormulaC13H21BrO2
Molecular Weight289.21 g/mol
Exact Mass288.07
IUPAC Namemethyl (1Z)-2-bromocycloundecene-1-carboxylate
SMILESCOC(=O)/C1=C(\Br)CCCCCCCCC1
InChIInChI=1S/C13H21BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12(11)14/h2-10H2,1H3/b12-11-
InChIKeyGOIDFWAXSKIJQX-QXMHVHEDSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-2-bromocycloundecene-1-carboxylate?
The IUPAC name of methyl (1Z)-2-bromocycloundecene-1-carboxylate (CID 12670604) is methyl (1Z)-2-bromocycloundecene-1-carboxylate.
What is the SMILES notation for methyl (1Z)-2-bromocycloundecene-1-carboxylate?
The canonical SMILES for methyl (1Z)-2-bromocycloundecene-1-carboxylate is COC(=O)/C1=C(\Br)CCCCCCCCC1.
What is the InChIKey of methyl (1Z)-2-bromocycloundecene-1-carboxylate?
The InChIKey is GOIDFWAXSKIJQX-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H21BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12(11)14/h2-10H2,1H3/b12-11-.
What are the key properties of methyl (1Z)-2-bromocycloundecene-1-carboxylate?
methyl (1Z)-2-bromocycloundecene-1-carboxylate has a molecular weight of 289.21 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-2-bromocycloundecene-1-carboxylate is sourced from PubChem (CID 12670604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).