4-(2-ethoxyhexyl)-1,3-dioxolane

C11H22O3 — CID 70292178

IUPAC4-(2-ethoxyhexyl)-1,3-dioxolane
SMILESCCCCC(CC1COCO1)OCC
InChIInChI=1S/C11H22O3/c1-3-5-6-10(13-4-2)7-11-8-12-9-14-11/h10-11H,3-9H2,1-2H3
InChIKeyHTGREFJRVLUMOP-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.34
Rot. Bonds7

About 4-(2-ethoxyhexyl)-1,3-dioxolane

4-(2-ethoxyhexyl)-1,3-dioxolane (PubChem CID 70292178) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-(2-ethoxyhexyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-ethoxyhexyl)-1,3-dioxolane
PubChem CID70292178
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-(2-ethoxyhexyl)-1,3-dioxolane
SMILESCCCCC(CC1COCO1)OCC
InChIInChI=1S/C11H22O3/c1-3-5-6-10(13-4-2)7-11-8-12-9-14-11/h10-11H,3-9H2,1-2H3
InChIKeyHTGREFJRVLUMOP-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyhexyl)-1,3-dioxolane?
The IUPAC name of 4-(2-ethoxyhexyl)-1,3-dioxolane (CID 70292178) is 4-(2-ethoxyhexyl)-1,3-dioxolane.
What is the SMILES notation for 4-(2-ethoxyhexyl)-1,3-dioxolane?
The canonical SMILES for 4-(2-ethoxyhexyl)-1,3-dioxolane is CCCCC(CC1COCO1)OCC.
What is the InChIKey of 4-(2-ethoxyhexyl)-1,3-dioxolane?
The InChIKey is HTGREFJRVLUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-5-6-10(13-4-2)7-11-8-12-9-14-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethoxyhexyl)-1,3-dioxolane?
4-(2-ethoxyhexyl)-1,3-dioxolane has a molecular weight of 202.29 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyhexyl)-1,3-dioxolane is sourced from PubChem (CID 70292178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).