2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane

C10H18O4 — CID 67111042

IUPAC2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane
SMILESCC1(C)CCOC(C2OCCCO2)O1
InChIInChI=1S/C10H18O4/c1-10(2)4-7-13-9(14-10)8-11-5-3-6-12-8/h8-9H,3-7H2,1-2H3
InChIKeyISLKHPNYUZKYNW-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds1

About 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane

2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane (PubChem CID 67111042) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane
PubChem CID67111042
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane
SMILESCC1(C)CCOC(C2OCCCO2)O1
InChIInChI=1S/C10H18O4/c1-10(2)4-7-13-9(14-10)8-11-5-3-6-12-8/h8-9H,3-7H2,1-2H3
InChIKeyISLKHPNYUZKYNW-UHFFFAOYSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane?
The IUPAC name of 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane (CID 67111042) is 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane is CC1(C)CCOC(C2OCCCO2)O1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane?
The InChIKey is ISLKHPNYUZKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2)4-7-13-9(14-10)8-11-5-3-6-12-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane?
2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane has a molecular weight of 202.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane is sourced from PubChem (CID 67111042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).