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

C13H26O — CID 58938764

IUPAC4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane
SMILESCOC1(C)CCC(CC(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-12(2,3)10-11-6-8-13(4,14-5)9-7-11/h11H,6-10H2,1-5H3
InChIKeyYMAYSANWNWUUFX-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds2

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

4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane (PubChem CID 58938764) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane
PubChem CID58938764
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane
SMILESCOC1(C)CCC(CC(C)(C)C)CC1
InChIInChI=1S/C13H26O/c1-12(2,3)10-11-6-8-13(4,14-5)9-7-11/h11H,6-10H2,1-5H3
InChIKeyYMAYSANWNWUUFX-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 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane (CID 58938764) is 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane is COC1(C)CCC(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane?
The InChIKey is YMAYSANWNWUUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2,3)10-11-6-8-13(4,14-5)9-7-11/h11H,6-10H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane?
4-(2,2-dimethylpropyl)-1-methoxy-1-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 4-(2,2-dimethylpropyl)-1-methoxy-1-methylcyclohexane is sourced from PubChem (CID 58938764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).