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

C8H15Br — CID 124509523

IUPACcis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
SMILESC[C@H]1CCCC[C@@H]1CBr
InChIInChI=1S/C8H15Br/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyNWTCRANYIBNHJZ-JGVFFNPUSA-N
MW191.11 g/mol
LogP3.21
Rot. Bonds1

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

cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane (PubChem CID 124509523) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
PubChem CID124509523
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Namecis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
SMILESC[C@H]1CCCC[C@@H]1CBr
InChIInChI=1S/C8H15Br/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyNWTCRANYIBNHJZ-JGVFFNPUSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
(2-methylcyclodecyl)methanamine
CID 163635360
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
CID 143661661
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
CID 146946174
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
1-methyl-2-prop-2-enylcyclohexane
CID 15643404

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane?
The IUPAC name of cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane (CID 124509523) is cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane.
What is the SMILES notation for cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane?
The canonical SMILES for cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane is C[C@H]1CCCC[C@@H]1CBr.
What is the InChIKey of cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane?
The InChIKey is NWTCRANYIBNHJZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15Br/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane?
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane has a molecular weight of 191.11 g/mol, XLogP of 3.21, 1 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-methylcyclohexane is sourced from PubChem (CID 124509523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).