cis-(2S,6R)-2,6-dimethylcyclohexan-1-one

C8H14O — CID 6994090

IUPACcis-(2S,6R)-2,6-dimethylcyclohexan-1-one
SMILESC[C@@H]1CCC[C@H](C)C1=O
InChIInChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyAILVYPLQKCQNJC-KNVOCYPGSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds

About cis-(2S,6R)-2,6-dimethylcyclohexan-1-one

cis-(2S,6R)-2,6-dimethylcyclohexan-1-one (PubChem CID 6994090) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is cis-(2S,6R)-2,6-dimethylcyclohexan-1-one.

Molecular Properties

Compound Namecis-(2S,6R)-2,6-dimethylcyclohexan-1-one
PubChem CID6994090
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namecis-(2S,6R)-2,6-dimethylcyclohexan-1-one
SMILESC[C@@H]1CCC[C@H](C)C1=O
InChIInChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyAILVYPLQKCQNJC-KNVOCYPGSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-2,6-dimethylcyclohexan-1-one?
The IUPAC name of cis-(2S,6R)-2,6-dimethylcyclohexan-1-one (CID 6994090) is cis-(2S,6R)-2,6-dimethylcyclohexan-1-one.
What is the SMILES notation for cis-(2S,6R)-2,6-dimethylcyclohexan-1-one?
The canonical SMILES for cis-(2S,6R)-2,6-dimethylcyclohexan-1-one is C[C@@H]1CCC[C@H](C)C1=O.
What is the InChIKey of cis-(2S,6R)-2,6-dimethylcyclohexan-1-one?
The InChIKey is AILVYPLQKCQNJC-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3/t6-,7+.
What are the key properties of cis-(2S,6R)-2,6-dimethylcyclohexan-1-one?
cis-(2S,6R)-2,6-dimethylcyclohexan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2,6-dimethylcyclohexan-1-one is sourced from PubChem (CID 6994090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).