cis-(1S,2R)-1,2-dimethylcyclohexane

C8H16 — CID 16628

IUPACcis-(1S,2R)-1,2-dimethylcyclohexane
SMILESC[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyKVZJLSYJROEPSQ-OCAPTIKFSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds

About cis-(1S,2R)-1,2-dimethylcyclohexane

cis-(1S,2R)-1,2-dimethylcyclohexane (PubChem CID 16628) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dimethylcyclohexane
PubChem CID16628
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namecis-(1S,2R)-1,2-dimethylcyclohexane
SMILESC[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyKVZJLSYJROEPSQ-OCAPTIKFSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dimethylcyclohexane?
The IUPAC name of cis-(1S,2R)-1,2-dimethylcyclohexane (CID 16628) is cis-(1S,2R)-1,2-dimethylcyclohexane.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethylcyclohexane?
The canonical SMILES for cis-(1S,2R)-1,2-dimethylcyclohexane is C[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1,2-dimethylcyclohexane?
The InChIKey is KVZJLSYJROEPSQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of cis-(1S,2R)-1,2-dimethylcyclohexane?
cis-(1S,2R)-1,2-dimethylcyclohexane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethylcyclohexane is sourced from PubChem (CID 16628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).