2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane

C13H26O2 — CID 58498262

IUPAC2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
SMILES[3H]OC1C(C)C(C)OC1C(C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-8-9(2)15-11(10(8)14)13(6,7)12(3,4)5/h8-11,14H,1-7H3/i14T
InChIKeyUXUYWIWXUKFKEB-UUEKIZJGSA-N
MW216.36 g/mol
LogP2.84
Rot. Bonds2

About 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane

2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane (PubChem CID 58498262) has the molecular formula C13H26O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane.

Molecular Properties

Compound Name2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
PubChem CID58498262
Molecular FormulaC13H26O2
Molecular Weight216.36 g/mol
Exact Mass216.20
IUPAC Name2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
SMILES[3H]OC1C(C)C(C)OC1C(C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-8-9(2)15-11(10(8)14)13(6,7)12(3,4)5/h8-11,14H,1-7H3/i14T
InChIKeyUXUYWIWXUKFKEB-UUEKIZJGSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
The IUPAC name of 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane (CID 58498262) is 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane.
What is the SMILES notation for 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
The canonical SMILES for 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane is [3H]OC1C(C)C(C)OC1C(C)(C)C(C)(C)C.
What is the InChIKey of 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
The InChIKey is UXUYWIWXUKFKEB-UUEKIZJGSA-N. The full InChI is InChI=1S/C13H26O2/c1-8-9(2)15-11(10(8)14)13(6,7)12(3,4)5/h8-11,14H,1-7H3/i14T.
What are the key properties of 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane has a molecular weight of 216.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane is sourced from PubChem (CID 58498262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).