1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one

C14H26O2 — CID 151145615

IUPAC1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one
SMILESCOC1(C(=O)C(C)C)C(C)CCCC1(C)C
InChIInChI=1S/C14H26O2/c1-10(2)12(15)14(16-6)11(3)8-7-9-13(14,4)5/h10-11H,7-9H2,1-6H3
InChIKeyMXDFCNZOVFRYFY-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds3

About 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one

1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one (PubChem CID 151145615) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one
PubChem CID151145615
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one
SMILESCOC1(C(=O)C(C)C)C(C)CCCC1(C)C
InChIInChI=1S/C14H26O2/c1-10(2)12(15)14(16-6)11(3)8-7-9-13(14,4)5/h10-11H,7-9H2,1-6H3
InChIKeyMXDFCNZOVFRYFY-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one (CID 151145615) is 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one is COC1(C(=O)C(C)C)C(C)CCCC1(C)C.
What is the InChIKey of 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one?
The InChIKey is MXDFCNZOVFRYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)12(15)14(16-6)11(3)8-7-9-13(14,4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one?
1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2,2,6-trimethylcyclohexyl)-2-methylpropan-1-one is sourced from PubChem (CID 151145615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).