2-(2,2,3,3-tetradeuteriopentoxy)oxane

C10H20O2 — CID 12541015

IUPAC2-(2,2,3,3-tetradeuteriopentoxy)oxane
SMILES[2H]C([2H])(CC)C([2H])([2H])COC1CCCCO1
InChIInChI=1S/C10H20O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,2-9H2,1H3/i3D2,5D2
InChIKeyJDYPJKLAPQWFTP-JAJFWILCSA-N
MW176.29 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,2,3,3-tetradeuteriopentoxy)oxane

2-(2,2,3,3-tetradeuteriopentoxy)oxane (PubChem CID 12541015) has the molecular formula C10H20O2 and a molecular weight of 176.29 g/mol. Its IUPAC name is 2-(2,2,3,3-tetradeuteriopentoxy)oxane.

Molecular Properties

Compound Name2-(2,2,3,3-tetradeuteriopentoxy)oxane
PubChem CID12541015
Molecular FormulaC10H20O2
Molecular Weight176.29 g/mol
Exact Mass176.17
IUPAC Name2-(2,2,3,3-tetradeuteriopentoxy)oxane
SMILES[2H]C([2H])(CC)C([2H])([2H])COC1CCCCO1
InChIInChI=1S/C10H20O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,2-9H2,1H3/i3D2,5D2
InChIKeyJDYPJKLAPQWFTP-JAJFWILCSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetradeuteriopentoxy)oxane?
The IUPAC name of 2-(2,2,3,3-tetradeuteriopentoxy)oxane (CID 12541015) is 2-(2,2,3,3-tetradeuteriopentoxy)oxane.
What is the SMILES notation for 2-(2,2,3,3-tetradeuteriopentoxy)oxane?
The canonical SMILES for 2-(2,2,3,3-tetradeuteriopentoxy)oxane is [2H]C([2H])(CC)C([2H])([2H])COC1CCCCO1.
What is the InChIKey of 2-(2,2,3,3-tetradeuteriopentoxy)oxane?
The InChIKey is JDYPJKLAPQWFTP-JAJFWILCSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h10H,2-9H2,1H3/i3D2,5D2.
What are the key properties of 2-(2,2,3,3-tetradeuteriopentoxy)oxane?
2-(2,2,3,3-tetradeuteriopentoxy)oxane has a molecular weight of 176.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetradeuteriopentoxy)oxane is sourced from PubChem (CID 12541015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).