1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane

C13H26O — CID 123616274

IUPAC1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane
SMILESCC1CCC(C(C)(C)OC(C)C)CC1
InChIInChI=1S/C13H26O/c1-10(2)14-13(4,5)12-8-6-11(3)7-9-12/h10-12H,6-9H2,1-5H3
InChIKeyKXGUMRTUDODUEV-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds3

About 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane

1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane (PubChem CID 123616274) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane
PubChem CID123616274
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane
SMILESCC1CCC(C(C)(C)OC(C)C)CC1
InChIInChI=1S/C13H26O/c1-10(2)14-13(4,5)12-8-6-11(3)7-9-12/h10-12H,6-9H2,1-5H3
InChIKeyKXGUMRTUDODUEV-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

2,4-dimethyl-1-[2-(4-methylcyclohexyl)propan-2-yloxy]-2-propan-2-ylpentan-1-ol
CID 71047327
1-methyl-3-(2-propan-2-yloxypropan-2-yl)azetidine
CID 137474470
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
ethane;2-(4-methylcyclohexyl)propan-2-yl formate
CID 144582727
3-methyl-2-(4-methylcyclohexyl)butan-2-amine
CID 64748185
2-(4-methylcyclohexyl)propan-2-yl 3-methyl-2-methylidenebutanoate
CID 89042556
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
CID 143746498
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane?
The IUPAC name of 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane (CID 123616274) is 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane is CC1CCC(C(C)(C)OC(C)C)CC1.
What is the InChIKey of 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane?
The InChIKey is KXGUMRTUDODUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)14-13(4,5)12-8-6-11(3)7-9-12/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane?
1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane is sourced from PubChem (CID 123616274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).