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

C10H16O2 — CID 13098345

IUPAC2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESC#CC1(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H16O2/c1-7-10(6)11-8(2,3)9(4,5)12-10/h1H,2-6H3
InChIKeyGHHMGEOCHJZDGP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds

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

2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 13098345) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID13098345
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESC#CC1(C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H16O2/c1-7-10(6)11-8(2,3)9(4,5)12-10/h1H,2-6H3
InChIKeyGHHMGEOCHJZDGP-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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'}

Analyze 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane (CID 13098345) is 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane is C#CC1(C)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is GHHMGEOCHJZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-10(6)11-8(2,3)9(4,5)12-10/h1H,2-6H3.
What are the key properties of 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane?
2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-2,4,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 13098345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).