4-methyl-4-propan-2-yl-1,3-dioxane

C8H16O2 — CID 156651250

IUPAC4-methyl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)C1(C)CCOCO1
InChIInChI=1S/C8H16O2/c1-7(2)8(3)4-5-9-6-10-8/h7H,4-6H2,1-3H3
InChIKeyXJWFXHULRMEAFP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.80
Rot. Bonds1

About 4-methyl-4-propan-2-yl-1,3-dioxane

4-methyl-4-propan-2-yl-1,3-dioxane (PubChem CID 156651250) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-1,3-dioxane
PubChem CID156651250
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-methyl-4-propan-2-yl-1,3-dioxane
SMILESCC(C)C1(C)CCOCO1
InChIInChI=1S/C8H16O2/c1-7(2)8(3)4-5-9-6-10-8/h7H,4-6H2,1-3H3
InChIKeyXJWFXHULRMEAFP-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-1,3-dioxane?
The IUPAC name of 4-methyl-4-propan-2-yl-1,3-dioxane (CID 156651250) is 4-methyl-4-propan-2-yl-1,3-dioxane.
What is the SMILES notation for 4-methyl-4-propan-2-yl-1,3-dioxane?
The canonical SMILES for 4-methyl-4-propan-2-yl-1,3-dioxane is CC(C)C1(C)CCOCO1.
What is the InChIKey of 4-methyl-4-propan-2-yl-1,3-dioxane?
The InChIKey is XJWFXHULRMEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)8(3)4-5-9-6-10-8/h7H,4-6H2,1-3H3.
What are the key properties of 4-methyl-4-propan-2-yl-1,3-dioxane?
4-methyl-4-propan-2-yl-1,3-dioxane has a molecular weight of 144.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 156651250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).