1-deuterio-2-(2-deuterioethoxy)ethane

C4H10O — CID 11332414

IUPAC1-deuterio-2-(2-deuterioethoxy)ethane
SMILES[2H]CCOCC[2H]
InChIInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D,2D
InChIKeyRTZKZFJDLAIYFH-QDNHWIQGSA-N
MW76.14 g/mol
LogP1.04
Rot. Bonds4

About 1-deuterio-2-(2-deuterioethoxy)ethane

1-deuterio-2-(2-deuterioethoxy)ethane (PubChem CID 11332414) has the molecular formula C4H10O and a molecular weight of 76.14 g/mol. Its IUPAC name is 1-deuterio-2-(2-deuterioethoxy)ethane.

Molecular Properties

Compound Name1-deuterio-2-(2-deuterioethoxy)ethane
PubChem CID11332414
Molecular FormulaC4H10O
Molecular Weight76.14 g/mol
Exact Mass76.09
IUPAC Name1-deuterio-2-(2-deuterioethoxy)ethane
SMILES[2H]CCOCC[2H]
InChIInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D,2D
InChIKeyRTZKZFJDLAIYFH-QDNHWIQGSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-(2-deuterioethoxy)ethane?
The IUPAC name of 1-deuterio-2-(2-deuterioethoxy)ethane (CID 11332414) is 1-deuterio-2-(2-deuterioethoxy)ethane.
What is the SMILES notation for 1-deuterio-2-(2-deuterioethoxy)ethane?
The canonical SMILES for 1-deuterio-2-(2-deuterioethoxy)ethane is [2H]CCOCC[2H].
What is the InChIKey of 1-deuterio-2-(2-deuterioethoxy)ethane?
The InChIKey is RTZKZFJDLAIYFH-QDNHWIQGSA-N. The full InChI is InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D,2D.
What are the key properties of 1-deuterio-2-(2-deuterioethoxy)ethane?
1-deuterio-2-(2-deuterioethoxy)ethane has a molecular weight of 76.14 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(2-deuterioethoxy)ethane is sourced from PubChem (CID 11332414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).