1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane

C15H30O — CID 21025543

IUPAC1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane
SMILESCOC1(CC(C)(C)C)CCC(C(C)C)CC1
InChIInChI=1S/C15H30O/c1-12(2)13-7-9-15(16-6,10-8-13)11-14(3,4)5/h12-13H,7-11H2,1-6H3
InChIKeyMZNKQYHCADFRII-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.65
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane

1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane (PubChem CID 21025543) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane
PubChem CID21025543
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane
SMILESCOC1(CC(C)(C)C)CCC(C(C)C)CC1
InChIInChI=1S/C15H30O/c1-12(2)13-7-9-15(16-6,10-8-13)11-14(3,4)5/h12-13H,7-11H2,1-6H3
InChIKeyMZNKQYHCADFRII-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane (CID 21025543) is 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane is COC1(CC(C)(C)C)CCC(C(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane?
The InChIKey is MZNKQYHCADFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-12(2)13-7-9-15(16-6,10-8-13)11-14(3,4)5/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane?
1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane has a molecular weight of 226.40 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1-methoxy-4-propan-2-ylcyclohexane is sourced from PubChem (CID 21025543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).