2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane

C10H20O2 — CID 58961456

IUPAC2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCCC1(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H20O2/c1-7-10(6)11-8(2,3)9(4,5)12-10/h7H2,1-6H3
InChIKeyWVYDPXJNKJSLEE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds1

About 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane

2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 58961456) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID58961456
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCCC1(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H20O2/c1-7-10(6)11-8(2,3)9(4,5)12-10/h7H2,1-6H3
InChIKeyWVYDPXJNKJSLEE-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane (CID 58961456) is 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane is CCC1(C)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is WVYDPXJNKJSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-10(6)11-8(2,3)9(4,5)12-10/h7H2,1-6H3.
What are the key properties of 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 58961456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).