[(1R)-2-bromocyclohex-2-en-1-yl] acetate

C8H11BrO2 — CID 10998507

IUPAC[(1R)-2-bromocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCC=C1Br
InChIInChI=1S/C8H11BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3/t8-/m1/s1
InChIKeyVISGSWVWTAKJRG-MRVPVSSYSA-N
MW219.08 g/mol
LogP2.38
Rot. Bonds1

About [(1R)-2-bromocyclohex-2-en-1-yl] acetate

[(1R)-2-bromocyclohex-2-en-1-yl] acetate (PubChem CID 10998507) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is [(1R)-2-bromocyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-2-bromocyclohex-2-en-1-yl] acetate
PubChem CID10998507
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name[(1R)-2-bromocyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCCC=C1Br
InChIInChI=1S/C8H11BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3/t8-/m1/s1
InChIKeyVISGSWVWTAKJRG-MRVPVSSYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-cyclohex-enyl acetate
CID 10986464
3-Acetoxycyclohexene
CID 11116148
[(1R)-cyclohex-2-en-1-yl] acetate
CID 11040783
[(1S)-cyclohex-2-en-1-yl] acetate
CID 11263533
5-[(Z)-1-bromohept-1-enyl]oxolan-2-one
CID 11832179
[(1R,4R)-4-methoxycyclohex-2-en-1-yl] acetate
CID 13548991
[(1R,4S,5S,6S)-4-acetyloxy-3,5,6-tribromocyclohex-2-en-1-yl] acetate
CID 15529460
[(1R,4R,5S,6S)-4-acetyloxy-5,6-dibromo-3-methylcyclohex-2-en-1-yl] acetate
CID 15529461
[(1S,4R)-4-methoxycyclohex-2-en-1-yl] acetate
CID 134900418
Cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate
CID 135014558
[(Z)-3-bromopent-3-en-2-yl] acetate
CID 135037834
Cyclohex-2-en-1-yl 2-bromopropanoate
CID 316907

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-bromocyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R)-2-bromocyclohex-2-en-1-yl] acetate (CID 10998507) is [(1R)-2-bromocyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-2-bromocyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-2-bromocyclohex-2-en-1-yl] acetate is CC(=O)O[C@@H]1CCCC=C1Br.
What is the InChIKey of [(1R)-2-bromocyclohex-2-en-1-yl] acetate?
The InChIKey is VISGSWVWTAKJRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h4,8H,2-3,5H2,1H3/t8-/m1/s1.
What are the key properties of [(1R)-2-bromocyclohex-2-en-1-yl] acetate?
[(1R)-2-bromocyclohex-2-en-1-yl] acetate has a molecular weight of 219.08 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-bromocyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 10998507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).