1-bromo-2-(methoxymethyl)cyclohexene

C8H13BrO — CID 86101241

IUPAC1-bromo-2-(methoxymethyl)cyclohexene
SMILESCOCC1=C(Br)CCCC1
InChIInChI=1S/C8H13BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-6H2,1H3
InChIKeyXCTTVGXCHDISJR-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.86
Rot. Bonds2

About 1-bromo-2-(methoxymethyl)cyclohexene

1-bromo-2-(methoxymethyl)cyclohexene (PubChem CID 86101241) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 1-bromo-2-(methoxymethyl)cyclohexene.

Molecular Properties

Compound Name1-bromo-2-(methoxymethyl)cyclohexene
PubChem CID86101241
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name1-bromo-2-(methoxymethyl)cyclohexene
SMILESCOCC1=C(Br)CCCC1
InChIInChI=1S/C8H13BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-6H2,1H3
InChIKeyXCTTVGXCHDISJR-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(methoxymethyl)cyclohexene?
The IUPAC name of 1-bromo-2-(methoxymethyl)cyclohexene (CID 86101241) is 1-bromo-2-(methoxymethyl)cyclohexene.
What is the SMILES notation for 1-bromo-2-(methoxymethyl)cyclohexene?
The canonical SMILES for 1-bromo-2-(methoxymethyl)cyclohexene is COCC1=C(Br)CCCC1.
What is the InChIKey of 1-bromo-2-(methoxymethyl)cyclohexene?
The InChIKey is XCTTVGXCHDISJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-6H2,1H3.
What are the key properties of 1-bromo-2-(methoxymethyl)cyclohexene?
1-bromo-2-(methoxymethyl)cyclohexene has a molecular weight of 205.09 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(methoxymethyl)cyclohexene is sourced from PubChem (CID 86101241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).