4-methoxy-2,2,6-trimethylcyclohexan-1-one

C10H18O2 — CID 560260

IUPAC4-methoxy-2,2,6-trimethylcyclohexan-1-one
SMILESCOC1CC(C)C(=O)C(C)(C)C1
InChIInChI=1S/C10H18O2/c1-7-5-8(12-4)6-10(2,3)9(7)11/h7-8H,5-6H2,1-4H3
InChIKeySOQAOURJBPECRP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds1

About 4-methoxy-2,2,6-trimethylcyclohexan-1-one

4-methoxy-2,2,6-trimethylcyclohexan-1-one (PubChem CID 560260) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methoxy-2,2,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name4-methoxy-2,2,6-trimethylcyclohexan-1-one
PubChem CID560260
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methoxy-2,2,6-trimethylcyclohexan-1-one
SMILESCOC1CC(C)C(=O)C(C)(C)C1
InChIInChI=1S/C10H18O2/c1-7-5-8(12-4)6-10(2,3)9(7)11/h7-8H,5-6H2,1-4H3
InChIKeySOQAOURJBPECRP-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Actinol
CID 10313234
Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4S,6R)-
CID 10931687
4-Hydroxy-2,2,6-trimethylcyclohexanone
CID 14322959
(4r,6s)-4-(t-Butyldimethylsiloxy)-2,2,6-trimethylcyclohexanone
CID 10945529
(4R,6R)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,2,6-trimethyl-cyclohexanone
CID 14584997
Actinol, cis-(+)-
CID 14322960
Actinol, trans-(+)-
CID 60090777
1-(3-Hydroxycyclohexyl)-2,2-dimethyl-1-propanone
CID 12316871
[4r,6r]-4-Hydroxy-2,6,6-trimethyl-cyclohexanone
CID 22808049
2,2-Dimethyl-1-[3-(trifluoromethoxy)cyclohexyl]propan-1-one
CID 176832888
1-[3-(Difluoromethoxy)cyclohexyl]-2,2-dimethylpropan-1-one
CID 176834256
4-(Tert-butyldimethylsilyloxy)-2,2,6-trimethyl cyclohexan-1-one
CID 14584996

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2,6-trimethylcyclohexan-1-one?
The IUPAC name of 4-methoxy-2,2,6-trimethylcyclohexan-1-one (CID 560260) is 4-methoxy-2,2,6-trimethylcyclohexan-1-one.
What is the SMILES notation for 4-methoxy-2,2,6-trimethylcyclohexan-1-one?
The canonical SMILES for 4-methoxy-2,2,6-trimethylcyclohexan-1-one is COC1CC(C)C(=O)C(C)(C)C1.
What is the InChIKey of 4-methoxy-2,2,6-trimethylcyclohexan-1-one?
The InChIKey is SOQAOURJBPECRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-8(12-4)6-10(2,3)9(7)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-2,2,6-trimethylcyclohexan-1-one?
4-methoxy-2,2,6-trimethylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 560260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).