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

C9H14O2 — CID 14216626

IUPAC5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESC#CC1OC(C)(C)OC1(C)C
InChIInChI=1S/C9H14O2/c1-6-7-8(2,3)11-9(4,5)10-7/h1,7H,2-5H3
InChIKeyARNJKMPVMJYATQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.55
Rot. Bonds

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

5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane (PubChem CID 14216626) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane
PubChem CID14216626
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESC#CC1OC(C)(C)OC1(C)C
InChIInChI=1S/C9H14O2/c1-6-7-8(2,3)11-9(4,5)10-7/h1,7H,2-5H3
InChIKeyARNJKMPVMJYATQ-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.55
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-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane?
The IUPAC name of 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane (CID 14216626) is 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane?
The canonical SMILES for 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane is C#CC1OC(C)(C)OC1(C)C.
What is the InChIKey of 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane?
The InChIKey is ARNJKMPVMJYATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-7-8(2,3)11-9(4,5)10-7/h1,7H,2-5H3.
What are the key properties of 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane?
5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2,2,4,4-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 14216626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).