5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane

C10H16O2 — CID 73319239

IUPAC5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane
SMILESC#CC1(C)OC(C)(C)OC1CC
InChIInChI=1S/C10H16O2/c1-6-8-10(5,7-2)12-9(3,4)11-8/h2,8H,6H2,1,3-5H3
InChIKeyZPCVIEVPIXNDQG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds1

About 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane

5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane (PubChem CID 73319239) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane
PubChem CID73319239
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane
SMILESC#CC1(C)OC(C)(C)OC1CC
InChIInChI=1S/C10H16O2/c1-6-8-10(5,7-2)12-9(3,4)11-8/h2,8H,6H2,1,3-5H3
InChIKeyZPCVIEVPIXNDQG-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane (CID 73319239) is 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane is C#CC1(C)OC(C)(C)OC1CC.
What is the InChIKey of 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is ZPCVIEVPIXNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-8-10(5,7-2)12-9(3,4)11-8/h2,8H,6H2,1,3-5H3.
What are the key properties of 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane?
5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-ethynyl-2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 73319239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).