[(2R)-1-bromobut-3-en-2-yl]cyclohexane

C10H17Br — CID 102075703

IUPAC[(2R)-1-bromobut-3-en-2-yl]cyclohexane
SMILESC=C[C@@H](CBr)C1CCCCC1
InChIInChI=1S/C10H17Br/c1-2-9(8-11)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2/t9-/m0/s1
InChIKeySAYIYRMUIPILKF-VIFPVBQESA-N
MW217.15 g/mol
LogP3.76
Rot. Bonds3

About [(2R)-1-bromobut-3-en-2-yl]cyclohexane

[(2R)-1-bromobut-3-en-2-yl]cyclohexane (PubChem CID 102075703) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is [(2R)-1-bromobut-3-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[(2R)-1-bromobut-3-en-2-yl]cyclohexane
PubChem CID102075703
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name[(2R)-1-bromobut-3-en-2-yl]cyclohexane
SMILESC=C[C@@H](CBr)C1CCCCC1
InChIInChI=1S/C10H17Br/c1-2-9(8-11)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2/t9-/m0/s1
InChIKeySAYIYRMUIPILKF-VIFPVBQESA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-cyclohexylpropanal
CID 174462116
2-(bromomethyl)but-3-enylcyclopentane
CID 11816786
undeca-1,10-dien-3-ylcyclohexane
CID 54538592
1-bromopent-4-en-2-ylcyclopentane
CID 131225659
(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
CID 134963376
2,3-dibromopropylcyclohexane
CID 118255100
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797
(2S)-2-cyclohexylbutanal
CID 88959248

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-bromobut-3-en-2-yl]cyclohexane?
The IUPAC name of [(2R)-1-bromobut-3-en-2-yl]cyclohexane (CID 102075703) is [(2R)-1-bromobut-3-en-2-yl]cyclohexane.
What is the SMILES notation for [(2R)-1-bromobut-3-en-2-yl]cyclohexane?
The canonical SMILES for [(2R)-1-bromobut-3-en-2-yl]cyclohexane is C=C[C@@H](CBr)C1CCCCC1.
What is the InChIKey of [(2R)-1-bromobut-3-en-2-yl]cyclohexane?
The InChIKey is SAYIYRMUIPILKF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17Br/c1-2-9(8-11)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2/t9-/m0/s1.
What are the key properties of [(2R)-1-bromobut-3-en-2-yl]cyclohexane?
[(2R)-1-bromobut-3-en-2-yl]cyclohexane has a molecular weight of 217.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-bromobut-3-en-2-yl]cyclohexane is sourced from PubChem (CID 102075703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).