5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane

C16H24O3 — CID 20536213

IUPAC5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane
SMILESCc1ccccc1COC1(C)COC(C(C)C)OC1
InChIInChI=1S/C16H24O3/c1-12(2)15-17-10-16(4,11-18-15)19-9-14-8-6-5-7-13(14)3/h5-8,12,15H,9-11H2,1-4H3
InChIKeyKWLRDBWJWIIJEX-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.30
Rot. Bonds4

About 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane

5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane (PubChem CID 20536213) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane
PubChem CID20536213
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane
SMILESCc1ccccc1COC1(C)COC(C(C)C)OC1
InChIInChI=1S/C16H24O3/c1-12(2)15-17-10-16(4,11-18-15)19-9-14-8-6-5-7-13(14)3/h5-8,12,15H,9-11H2,1-4H3
InChIKeyKWLRDBWJWIIJEX-UHFFFAOYSA-N
XLogP3.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
CID 21397275
(1S,2R,4R,5S)-1-methyl-2,5-bis[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571408
(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,3-oxazolidine
CID 117228287
(2-methylphenyl)methoxy-di(propan-2-yl)azanium
CID 173224071
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
(1S,2R,4R,5S)-5-chloro-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571526
2,2,4-trimethyl-5-[(2-methylphenyl)methoxy]-1,3-dioxane
CID 70594186
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 115929724
2-[(3-methylazetidin-3-yl)oxymethyl]phenol
CID 115019383
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane?
The IUPAC name of 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane (CID 20536213) is 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane?
The canonical SMILES for 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane is Cc1ccccc1COC1(C)COC(C(C)C)OC1.
What is the InChIKey of 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane?
The InChIKey is KWLRDBWJWIIJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(2)15-17-10-16(4,11-18-15)19-9-14-8-6-5-7-13(14)3/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane?
5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane has a molecular weight of 264.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 20536213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).