2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane

C6H14O — CID 71308954

IUPAC2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane
SMILES[13CH3][13CH]([13CH3])O[13CH]([13CH3])[13CH3]
InChIInChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyZAFNJMIOTHYJRJ-IDEBNGHGSA-N
MW108.13 g/mol
LogP1.82
Rot. Bonds2

About 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane

2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane (PubChem CID 71308954) has the molecular formula C6H14O and a molecular weight of 108.13 g/mol. Its IUPAC name is 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane.

Molecular Properties

Compound Name2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane
PubChem CID71308954
Molecular FormulaC6H14O
Molecular Weight108.13 g/mol
Exact Mass108.12
IUPAC Name2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane
SMILES[13CH3][13CH]([13CH3])O[13CH]([13CH3])[13CH3]
InChIInChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyZAFNJMIOTHYJRJ-IDEBNGHGSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.13
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diisopropyl Ether
CID 7914
Ethyl tert-butyl ether
CID 12512
Propyl ether
CID 8114
2-Ethoxybutane
CID 17586
Bis(2-butyl) ether
CID 23294
2-Butylene oxide
CID 18632
2-Methyloxetane
CID 16565
Ethyl isopropyl ether
CID 12256
2-Methoxypropane
CID 11721
Propane, 1-(1-methylethoxy)-
CID 12304
trans-2,3-Dimethyloxirane
CID 30664
cis-2,3-Epoxybutane
CID 92162

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane?
The IUPAC name of 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane (CID 71308954) is 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane.
What is the SMILES notation for 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane?
The canonical SMILES for 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane is [13CH3][13CH]([13CH3])O[13CH]([13CH3])[13CH3].
What is the InChIKey of 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane?
The InChIKey is ZAFNJMIOTHYJRJ-IDEBNGHGSA-N. The full InChI is InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane?
2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane has a molecular weight of 108.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3-13C3)propan-2-yloxy(1,2,3-13C3)propane is sourced from PubChem (CID 71308954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).