trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane

C8H14Cl2 — CID 54577627

IUPACtrans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
SMILESClC[C@@H]1CCCC[C@H]1CCl
InChIInChI=1S/C8H14Cl2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyWJVHONKNAYUVGV-YUMQZZPRSA-N
MW181.11 g/mol
LogP3.27
Rot. Bonds2

About trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane

trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane (PubChem CID 54577627) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
PubChem CID54577627
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Nametrans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
SMILESClC[C@@H]1CCCC[C@H]1CCl
InChIInChI=1S/C8H14Cl2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyWJVHONKNAYUVGV-YUMQZZPRSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.27
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

trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
CID 71423224
1,2-bis(chloromethyl)cyclopentane
CID 13129029
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
(E)-3-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]prop-2-en-1-amine
CID 107901082
2-(chloromethyl)-N-cyclohexylcyclohexan-1-amine
CID 106365175
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
(E)-N-[[2-(chloromethyl)cyclohexyl]methyl]but-2-en-1-amine
CID 107897717
N-[[2-(chloromethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 114306969
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
4-(chloromethyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran
CID 140578549
5-(chloromethyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173406818

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane?
The IUPAC name of trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane (CID 54577627) is trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane.
What is the SMILES notation for trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane?
The canonical SMILES for trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane is ClC[C@@H]1CCCC[C@H]1CCl.
What is the InChIKey of trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane?
The InChIKey is WJVHONKNAYUVGV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14Cl2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m0/s1.
What are the key properties of trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane?
trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane has a molecular weight of 181.11 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane is sourced from PubChem (CID 54577627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).