2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one

C17H30O2 — CID 175586261

IUPAC2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one
SMILESCC1CCCC(C)(C)C1=O.CC1CCCC(C)C1=O
InChIInChI=1S/C9H16O.C8H14O/c1-7-5-4-6-9(2,3)8(7)10;1-6-4-3-5-7(2)8(6)9/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyMTPBVBFGWRUMBW-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.41
Rot. Bonds

About 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one

2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one (PubChem CID 175586261) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one
PubChem CID175586261
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one
SMILESCC1CCCC(C)(C)C1=O.CC1CCCC(C)C1=O
InChIInChI=1S/C9H16O.C8H14O/c1-7-5-4-6-9(2,3)8(7)10;1-6-4-3-5-7(2)8(6)9/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyMTPBVBFGWRUMBW-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 12870171
2-methyl-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-one
CID 102059550
2-fluoro-6-methylcyclohexan-1-one
CID 130037542
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
2-(4-tert-butylphenyl)-2,6-dimethylcyclohexan-1-one
CID 22558549
5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione
CID 68611964
(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 6428338
6-(1,2-dihydroxyethyl)-2,2-dimethylcyclohexan-1-one
CID 130128340
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050
methyl 1-chloro-3-methyl-2-oxocyclohexane-1-carboxylate
CID 102089438
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852279

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one?
The IUPAC name of 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one (CID 175586261) is 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one.
What is the SMILES notation for 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one?
The canonical SMILES for 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one is CC1CCCC(C)(C)C1=O.CC1CCCC(C)C1=O.
What is the InChIKey of 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one?
The InChIKey is MTPBVBFGWRUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C8H14O/c1-7-5-4-6-9(2,3)8(7)10;1-6-4-3-5-7(2)8(6)9/h7H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one?
2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one has a molecular weight of 266.42 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 175586261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).