4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane

C13H24O2 — CID 143821353

IUPAC4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
SMILESCC1(CC2(C)CCOCC2)CCOCC1
InChIInChI=1S/C13H24O2/c1-12(3-7-14-8-4-12)11-13(2)5-9-15-10-6-13/h3-11H2,1-2H3
InChIKeyRXFNUXIOMHEGLM-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.01
Rot. Bonds2

About 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane

4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane (PubChem CID 143821353) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane.

Molecular Properties

Compound Name4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
PubChem CID143821353
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
SMILESCC1(CC2(C)CCOCC2)CCOCC1
InChIInChI=1S/C13H24O2/c1-12(3-7-14-8-4-12)11-13(2)5-9-15-10-6-13/h3-11H2,1-2H3
InChIKeyRXFNUXIOMHEGLM-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-4-methyloxane
CID 64985111
1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
CID 157115340
CID 58450372
CID 58450372
2-(4-methyloxan-4-yl)acetamide
CID 137499101
(3-methyloxolan-3-yl)methanethiol
CID 155973621
sodium (4-methyloxan-4-yl)methanesulfinate
CID 165449192
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
2,2-dimethyl-7-oxaspiro[3.5]nonane;ethane
CID 177218275
5-methoxy-N-[(4-methyloxan-4-yl)methyl]pentan-1-amine
CID 104586141
2-ethylsulfinyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586321
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
CID 104586482

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane?
The IUPAC name of 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane (CID 143821353) is 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane.
What is the SMILES notation for 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane?
The canonical SMILES for 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane is CC1(CC2(C)CCOCC2)CCOCC1.
What is the InChIKey of 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane?
The InChIKey is RXFNUXIOMHEGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(3-7-14-8-4-12)11-13(2)5-9-15-10-6-13/h3-11H2,1-2H3.
What are the key properties of 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane?
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane has a molecular weight of 212.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane is sourced from PubChem (CID 143821353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).