5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane

C16H24O3 — CID 21397275

IUPAC5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
SMILESCC(C)CC1OCC(C)(OCc2ccccc2)CO1
InChIInChI=1S/C16H24O3/c1-13(2)9-15-17-11-16(3,12-18-15)19-10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyJQHHIOFUMXPNCH-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.38
Rot. Bonds5

About 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane

5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane (PubChem CID 21397275) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
PubChem CID21397275
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
SMILESCC(C)CC1OCC(C)(OCc2ccccc2)CO1
InChIInChI=1S/C16H24O3/c1-13(2)9-15-17-11-16(3,12-18-15)19-10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKeyJQHHIOFUMXPNCH-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane
CID 134967526
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
CID 18977333
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
4-methyl-1-[(1R)-1-phenylmethoxyethyl]-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octane
CID 10611547
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
CID 90999367
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
benzyl (5R)-5-(2-methylpropyl)-3-oxo-1,2-oxazolidine-2-carboxylate
CID 11208179
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
CID 101357836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane (CID 21397275) is 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane is CC(C)CC1OCC(C)(OCc2ccccc2)CO1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane?
The InChIKey is JQHHIOFUMXPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-13(2)9-15-17-11-16(3,12-18-15)19-10-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane?
5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane has a molecular weight of 264.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane is sourced from PubChem (CID 21397275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).