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

C13H26O2 — CID 118055686

IUPAC(2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
SMILES[3H]OC1C(C)[C@H](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/t8?,9-,10?,11?/m0/s1/i14T
InChIKeyUXUYWIWXUKFKEB-GOGXFETRSA-N
MW216.36 g/mol
LogP2.84
Rot. Bonds2

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

(2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane (PubChem CID 118055686) has the molecular formula C13H26O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
PubChem CID118055686
Molecular FormulaC13H26O2
Molecular Weight216.36 g/mol
Exact Mass216.20
IUPAC Name(2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
SMILES[3H]OC1C(C)[C@H](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/t8?,9-,10?,11?/m0/s1/i14T
InChIKeyUXUYWIWXUKFKEB-GOGXFETRSA-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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Related Compounds

2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
CID 58498262
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
2-tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane
CID 126702754
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
(5R)-3,5,6-trimethyloxane-2,4-diol
CID 59897700
[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium
CID 54556726
CID 58545492
CID 58545492
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 122537677
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
The IUPAC name of (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane (CID 118055686) is (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane.
What is the SMILES notation for (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
The canonical SMILES for (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane is [3H]OC1C(C)[C@H](C)OC1C(C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
The InChIKey is UXUYWIWXUKFKEB-GOGXFETRSA-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/t8?,9-,10?,11?/m0/s1/i14T.
What are the key properties of (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane?
(2S)-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 (2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane is sourced from PubChem (CID 118055686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).