1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane

C16H30O — CID 22151670

IUPAC1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane
SMILESCC1(COCC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C16H30O/c1-15(9-5-3-6-10-15)13-17-14-16(2)11-7-4-8-12-16/h3-14H2,1-2H3
InChIKeyXJEZGEGERNWRTK-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.94
Rot. Bonds4

About 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane

1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane (PubChem CID 22151670) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane
PubChem CID22151670
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane
SMILESCC1(COCC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C16H30O/c1-15(9-5-3-6-10-15)13-17-14-16(2)11-7-4-8-12-16/h3-14H2,1-2H3
InChIKeyXJEZGEGERNWRTK-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
CID 122380283
Cyclohexane, 1,1'-(oxydi-2,1-ethanediyl)bis[4-methyl-
CID 580058
2-Oxaspiro[5.5]undecane
CID 20300335
1-[3-(7-Methoxyheptoxy)propyl]-1-propylcyclohexane
CID 170584492
1-Ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane
CID 91505925
3-Methyl-2-oxaspiro[5.5]undecane
CID 134862815
1-[3-(7-Ethoxyheptoxy)propyl]-1-ethylcyclohexane
CID 168243930
3-Oxaspiro[5.5]undecane
CID 15620802
1-Propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
CID 17985959
1-Cyclohexyl-1-(methoxymethyl)cyclohexane
CID 19602012
1-(Methoxymethyl)-1-propylcyclohexane
CID 19695283
1-Pentyl-4-[3-[3-(4-pentylcyclohexyl)propoxy]propyl]cyclohexane
CID 19738900

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane?
The IUPAC name of 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane (CID 22151670) is 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane.
What is the SMILES notation for 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane?
The canonical SMILES for 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane is CC1(COCC2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane?
The InChIKey is XJEZGEGERNWRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-15(9-5-3-6-10-15)13-17-14-16(2)11-7-4-8-12-16/h3-14H2,1-2H3.
What are the key properties of 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane?
1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane has a molecular weight of 238.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylcyclohexyl)methoxymethyl]cyclohexane is sourced from PubChem (CID 22151670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).