5,5-di(propan-2-yl)-1,3-dioxane

C10H20O2 — CID 58907351

IUPAC5,5-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1(C(C)C)COCOC1
InChIInChI=1S/C10H20O2/c1-8(2)10(9(3)4)5-11-7-12-6-10/h8-9H,5-7H2,1-4H3
InChIKeyFKWJYPLVEGKGGL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.29
Rot. Bonds2

About 5,5-di(propan-2-yl)-1,3-dioxane

5,5-di(propan-2-yl)-1,3-dioxane (PubChem CID 58907351) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5,5-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name5,5-di(propan-2-yl)-1,3-dioxane
PubChem CID58907351
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5,5-di(propan-2-yl)-1,3-dioxane
SMILESCC(C)C1(C(C)C)COCOC1
InChIInChI=1S/C10H20O2/c1-8(2)10(9(3)4)5-11-7-12-6-10/h8-9H,5-7H2,1-4H3
InChIKeyFKWJYPLVEGKGGL-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of 5,5-di(propan-2-yl)-1,3-dioxane (CID 58907351) is 5,5-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for 5,5-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for 5,5-di(propan-2-yl)-1,3-dioxane is CC(C)C1(C(C)C)COCOC1.
What is the InChIKey of 5,5-di(propan-2-yl)-1,3-dioxane?
The InChIKey is FKWJYPLVEGKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(9(3)4)5-11-7-12-6-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 5,5-di(propan-2-yl)-1,3-dioxane?
5,5-di(propan-2-yl)-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 58907351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).