5-benzyl-4-methyl-1,3-dioxane

C12H16O2 — CID 12704146

IUPAC5-benzyl-4-methyl-1,3-dioxane
SMILESCC1OCOCC1Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyBSEBSQBMWAEYIS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.24
Rot. Bonds2

About 5-benzyl-4-methyl-1,3-dioxane

5-benzyl-4-methyl-1,3-dioxane (PubChem CID 12704146) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-benzyl-4-methyl-1,3-dioxane.

Molecular Properties

Compound Name5-benzyl-4-methyl-1,3-dioxane
PubChem CID12704146
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-benzyl-4-methyl-1,3-dioxane
SMILESCC1OCOCC1Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyBSEBSQBMWAEYIS-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyloxolan-3-ol
CID 14785279
4-benzyl-3-methyloxolan-2-one
CID 86193814
(4R,5R)-4-(2-bromophenyl)-5-[(4-methylphenyl)methyl]-1,3-dioxane
CID 171383633
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
(3S,7R,8R,9S)-3-amino-7-benzyl-9-methyl-8-(2-phenylethyl)-1,5-dioxonan-2-one
CID 118653490
(2-benzylcyclopropyl)methanamine
CID 56605942
2-benzyl-1,4-dioxane
CID 12910406
(3S,7S,8R,9S)-7-benzyl-3,9-dimethyl-8-(2-methylpropoxy)-1,5-dioxonan-2-one chloride
CID 161128024
2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine
CID 124676151
2-(4-benzyl-5-methyloxolan-2-yl)ethanamine
CID 112757447

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-1,3-dioxane?
The IUPAC name of 5-benzyl-4-methyl-1,3-dioxane (CID 12704146) is 5-benzyl-4-methyl-1,3-dioxane.
What is the SMILES notation for 5-benzyl-4-methyl-1,3-dioxane?
The canonical SMILES for 5-benzyl-4-methyl-1,3-dioxane is CC1OCOCC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methyl-1,3-dioxane?
The InChIKey is BSEBSQBMWAEYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 5-benzyl-4-methyl-1,3-dioxane?
5-benzyl-4-methyl-1,3-dioxane has a molecular weight of 192.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-1,3-dioxane is sourced from PubChem (CID 12704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).