cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane

C9H15Br — CID 22854362

IUPACcis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane
SMILESC=C[C@@H]1CCCC[C@@H]1CBr
InChIInChI=1S/C9H15Br/c1-2-8-5-3-4-6-9(8)7-10/h2,8-9H,1,3-7H2/t8-,9-/m1/s1
InChIKeyAUWKNTYNSVLOLN-RKDXNWHRSA-N
MW203.12 g/mol
LogP3.37
Rot. Bonds2

About cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane

cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane (PubChem CID 22854362) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane
PubChem CID22854362
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Namecis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane
SMILESC=C[C@@H]1CCCC[C@@H]1CBr
InChIInChI=1S/C9H15Br/c1-2-8-5-3-4-6-9(8)7-10/h2,8-9H,1,3-7H2/t8-,9-/m1/s1
InChIKeyAUWKNTYNSVLOLN-RKDXNWHRSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.37
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

[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
1-ethenyl-2-[(3E)-3-(2-methylidenecyclopentylidene)propyl]cyclohexane
CID 134860197
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
2-ethenylcycloheptan-1-ol
CID 101076742
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
CID 12910257
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
CID 170910314
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
2-chloro-1-(2-ethenylcyclohexyl)ethanone
CID 12579604
(2-hept-6-enylcyclohexyl)methanamine
CID 107010667
but-1-ene;ethane;methylcyclopentane
CID 153403390

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane?
The IUPAC name of cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane (CID 22854362) is cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane.
What is the SMILES notation for cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane?
The canonical SMILES for cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane is C=C[C@@H]1CCCC[C@@H]1CBr.
What is the InChIKey of cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane?
The InChIKey is AUWKNTYNSVLOLN-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H15Br/c1-2-8-5-3-4-6-9(8)7-10/h2,8-9H,1,3-7H2/t8-,9-/m1/s1.
What are the key properties of cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane?
cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane has a molecular weight of 203.12 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane is sourced from PubChem (CID 22854362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).