5-tert-butyl-1,3-dioxane

C8H16O2 — CID 15006018

IUPAC5-tert-butyl-1,3-dioxane
SMILESCC(C)(C)C1COCOC1
InChIInChI=1S/C8H16O2/c1-8(2,3)7-4-9-6-10-5-7/h7H,4-6H2,1-3H3
InChIKeyDWPPFERYKYHTDJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.65
Rot. Bonds

About 5-tert-butyl-1,3-dioxane

5-tert-butyl-1,3-dioxane (PubChem CID 15006018) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dioxane.

Molecular Properties

Compound Name5-tert-butyl-1,3-dioxane
PubChem CID15006018
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-tert-butyl-1,3-dioxane
SMILESCC(C)(C)C1COCOC1
InChIInChI=1S/C8H16O2/c1-8(2,3)7-4-9-6-10-5-7/h7H,4-6H2,1-3H3
InChIKeyDWPPFERYKYHTDJ-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-, cis-
CID 23513560
1,3-Dioxane, 5,5-diethyl-
CID 18821
Orthoformic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol
CID 155387
2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-
CID 198389
5-(Methoxymethyl)-2,5-di(propan-2-yl)-1,3-dioxane
CID 31450
m-DIOXANE, 5-(2-METHOXYETHYL)-2,5-DIMETHYL-, (Z)-
CID 31460
5-(2-Ethoxyethyl)-5-methyl-2-(propan-2-yl)-1,3-dioxane
CID 31462
5-Ethyl-2-(propan-2-yl)-1,3-dioxane
CID 31463
5-(Methoxymethyl)-2-methyl-5-(propan-2-yl)-1,3-dioxane
CID 31468
cis-2,5-Diisopropyl-1,3-dioxane
CID 141251
5-(Propan-2-yl)-1,3-dioxane
CID 12697737
5-Ethyl-2,2,5-trimethyl-1,3-dioxane
CID 15363609

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dioxane?
The IUPAC name of 5-tert-butyl-1,3-dioxane (CID 15006018) is 5-tert-butyl-1,3-dioxane.
What is the SMILES notation for 5-tert-butyl-1,3-dioxane?
The canonical SMILES for 5-tert-butyl-1,3-dioxane is CC(C)(C)C1COCOC1.
What is the InChIKey of 5-tert-butyl-1,3-dioxane?
The InChIKey is DWPPFERYKYHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2,3)7-4-9-6-10-5-7/h7H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-dioxane?
5-tert-butyl-1,3-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dioxane is sourced from PubChem (CID 15006018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).