2-bromocyclohex-2-en-1-olate

C6H8BrO- — CID 135037886

IUPAC2-bromocyclohex-2-en-1-olate
SMILES[O-]C1CCCC=C1Br
InChIInChI=1S/C6H8BrO/c7-5-3-1-2-4-6(5)8/h3,6H,1-2,4H2/q-1
InChIKeyHNRRQKQERBPJGM-UHFFFAOYSA-N
MW176.03 g/mol
LogP1.18
Rot. Bonds

About 2-bromocyclohex-2-en-1-olate

2-bromocyclohex-2-en-1-olate (PubChem CID 135037886) has the molecular formula C6H8BrO- and a molecular weight of 176.03 g/mol. Its IUPAC name is 2-bromocyclohex-2-en-1-olate.

Molecular Properties

Compound Name2-bromocyclohex-2-en-1-olate
PubChem CID135037886
Molecular FormulaC6H8BrO-
Molecular Weight176.03 g/mol
Exact Mass174.98
IUPAC Name2-bromocyclohex-2-en-1-olate
SMILES[O-]C1CCCC=C1Br
InChIInChI=1S/C6H8BrO/c7-5-3-1-2-4-6(5)8/h3,6H,1-2,4H2/q-1
InChIKeyHNRRQKQERBPJGM-UHFFFAOYSA-N
XLogP1.18
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.03
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromocyclohex-2-en-1-olate?
The IUPAC name of 2-bromocyclohex-2-en-1-olate (CID 135037886) is 2-bromocyclohex-2-en-1-olate.
What is the SMILES notation for 2-bromocyclohex-2-en-1-olate?
The canonical SMILES for 2-bromocyclohex-2-en-1-olate is [O-]C1CCCC=C1Br.
What is the InChIKey of 2-bromocyclohex-2-en-1-olate?
The InChIKey is HNRRQKQERBPJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrO/c7-5-3-1-2-4-6(5)8/h3,6H,1-2,4H2/q-1.
What are the key properties of 2-bromocyclohex-2-en-1-olate?
2-bromocyclohex-2-en-1-olate has a molecular weight of 176.03 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclohex-2-en-1-olate is sourced from PubChem (CID 135037886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).