1-cyclohexyloxy-1-methylcyclohexane

C13H24O — CID 57243949

IUPAC1-cyclohexyloxy-1-methylcyclohexane
SMILESCC1(OC2CCCCC2)CCCCC1
InChIInChI=1S/C13H24O/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12/h12H,2-11H2,1H3
InChIKeyATQHTXLXAVWJKH-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.06
Rot. Bonds2

About 1-cyclohexyloxy-1-methylcyclohexane

1-cyclohexyloxy-1-methylcyclohexane (PubChem CID 57243949) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cyclohexyloxy-1-methylcyclohexane.

Molecular Properties

Compound Name1-cyclohexyloxy-1-methylcyclohexane
PubChem CID57243949
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cyclohexyloxy-1-methylcyclohexane
SMILESCC1(OC2CCCCC2)CCCCC1
InChIInChI=1S/C13H24O/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12/h12H,2-11H2,1H3
InChIKeyATQHTXLXAVWJKH-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexylperoxy-1-methylcyclohexane
CID 139640231
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexyl)propan-2-yl]-4-(1-methylcyclohexyl)oxycyclohexane
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2-cyclohexyloxy-2-methyloxirane
CID 89006811
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
1-cyclopentyloxycyclohexane-1-carboxylic acid
CID 82236545
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane
CID 172736689
1-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
1-cyclohexyloxy-2,2,3-trimethylcyclohexan-1-ol
CID 172711110
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-1-methylcyclohexane?
The IUPAC name of 1-cyclohexyloxy-1-methylcyclohexane (CID 57243949) is 1-cyclohexyloxy-1-methylcyclohexane.
What is the SMILES notation for 1-cyclohexyloxy-1-methylcyclohexane?
The canonical SMILES for 1-cyclohexyloxy-1-methylcyclohexane is CC1(OC2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-1-methylcyclohexane?
The InChIKey is ATQHTXLXAVWJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-13(10-6-3-7-11-13)14-12-8-4-2-5-9-12/h12H,2-11H2,1H3.
What are the key properties of 1-cyclohexyloxy-1-methylcyclohexane?
1-cyclohexyloxy-1-methylcyclohexane has a molecular weight of 196.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-1-methylcyclohexane is sourced from PubChem (CID 57243949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).