1-(2,2-dimethylpropyl)-2-methoxycyclohexane

C12H24O — CID 158846748

IUPAC1-(2,2-dimethylpropyl)-2-methoxycyclohexane
SMILESCOC1CCCCC1CC(C)(C)C
InChIInChI=1S/C12H24O/c1-12(2,3)9-10-7-5-6-8-11(10)13-4/h10-11H,5-9H2,1-4H3
InChIKeyCCWRIBHYNBPERW-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-methoxycyclohexane

1-(2,2-dimethylpropyl)-2-methoxycyclohexane (PubChem CID 158846748) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-methoxycyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-methoxycyclohexane
PubChem CID158846748
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2,2-dimethylpropyl)-2-methoxycyclohexane
SMILESCOC1CCCCC1CC(C)(C)C
InChIInChI=1S/C12H24O/c1-12(2,3)9-10-7-5-6-8-11(10)13-4/h10-11H,5-9H2,1-4H3
InChIKeyCCWRIBHYNBPERW-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
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)-2-methoxycyclohexane?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-methoxycyclohexane (CID 158846748) is 1-(2,2-dimethylpropyl)-2-methoxycyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-methoxycyclohexane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-methoxycyclohexane is COC1CCCCC1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-methoxycyclohexane?
The InChIKey is CCWRIBHYNBPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-12(2,3)9-10-7-5-6-8-11(10)13-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-methoxycyclohexane?
1-(2,2-dimethylpropyl)-2-methoxycyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 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)-2-methoxycyclohexane is sourced from PubChem (CID 158846748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).