1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane

C13H26O — CID 59186623

IUPAC1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane
SMILESCOC1(CC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C13H26O/c1-11-6-8-13(14-5,9-7-11)10-12(2,3)4/h11H,6-10H2,1-5H3
InChIKeyZSAIAXNVEXQXCR-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane

1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane (PubChem CID 59186623) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane
PubChem CID59186623
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane
SMILESCOC1(CC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C13H26O/c1-11-6-8-13(14-5,9-7-11)10-12(2,3)4/h11H,6-10H2,1-5H3
InChIKeyZSAIAXNVEXQXCR-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
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-methylcyclohexane?
The IUPAC name of 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane (CID 59186623) is 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane is COC1(CC(C)(C)C)CCC(C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane?
The InChIKey is ZSAIAXNVEXQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-11-6-8-13(14-5,9-7-11)10-12(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane?
1-(2,2-dimethylpropyl)-1-methoxy-4-methylcyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 2 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-methylcyclohexane is sourced from PubChem (CID 59186623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).