2-deuterio-2-prop-2-ynyl-1,3-dioxolane

C6H8O2 — CID 58696481

IUPAC2-deuterio-2-prop-2-ynyl-1,3-dioxolane
SMILES[2H]C1(CC#C)OCCO1
InChIInChI=1S/C6H8O2/c1-2-3-6-7-4-5-8-6/h1,6H,3-5H2/i6D
InChIKeyGUMDLXUAZSQOOS-RAMDWTOOSA-N
MW113.13 g/mol
LogP0.38
Rot. Bonds1

About 2-deuterio-2-prop-2-ynyl-1,3-dioxolane

2-deuterio-2-prop-2-ynyl-1,3-dioxolane (PubChem CID 58696481) has the molecular formula C6H8O2 and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-deuterio-2-prop-2-ynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-deuterio-2-prop-2-ynyl-1,3-dioxolane
PubChem CID58696481
Molecular FormulaC6H8O2
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-deuterio-2-prop-2-ynyl-1,3-dioxolane
SMILES[2H]C1(CC#C)OCCO1
InChIInChI=1S/C6H8O2/c1-2-3-6-7-4-5-8-6/h1,6H,3-5H2/i6D
InChIKeyGUMDLXUAZSQOOS-RAMDWTOOSA-N
XLogP0.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 50.38
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 2-deuterio-2-prop-2-ynyl-1,3-dioxolane?
The IUPAC name of 2-deuterio-2-prop-2-ynyl-1,3-dioxolane (CID 58696481) is 2-deuterio-2-prop-2-ynyl-1,3-dioxolane.
What is the SMILES notation for 2-deuterio-2-prop-2-ynyl-1,3-dioxolane?
The canonical SMILES for 2-deuterio-2-prop-2-ynyl-1,3-dioxolane is [2H]C1(CC#C)OCCO1.
What is the InChIKey of 2-deuterio-2-prop-2-ynyl-1,3-dioxolane?
The InChIKey is GUMDLXUAZSQOOS-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-6-7-4-5-8-6/h1,6H,3-5H2/i6D.
What are the key properties of 2-deuterio-2-prop-2-ynyl-1,3-dioxolane?
2-deuterio-2-prop-2-ynyl-1,3-dioxolane has a molecular weight of 113.13 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-prop-2-ynyl-1,3-dioxolane is sourced from PubChem (CID 58696481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).