2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane

C9H16O4 — CID 91071611

IUPAC2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
SMILESC1COC(CCC2OCCO2)OC1
InChIInChI=1S/C9H16O4/c1-4-10-8(11-5-1)2-3-9-12-6-7-13-9/h8-9H,1-7H2
InChIKeyCBOYZTGICYGPPK-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.90
Rot. Bonds3

About 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane

2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane (PubChem CID 91071611) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
PubChem CID91071611
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
SMILESC1COC(CCC2OCCO2)OC1
InChIInChI=1S/C9H16O4/c1-4-10-8(11-5-1)2-3-9-12-6-7-13-9/h8-9H,1-7H2
InChIKeyCBOYZTGICYGPPK-UHFFFAOYSA-N
XLogP0.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane (CID 91071611) is 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane is C1COC(CCC2OCCO2)OC1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane?
The InChIKey is CBOYZTGICYGPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-10-8(11-5-1)2-3-9-12-6-7-13-9/h8-9H,1-7H2.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane?
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane has a molecular weight of 188.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 91071611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).