2-tert-butyl-3,4,5,6-tetramethyloxane

C13H26O — CID 20707638

IUPAC2-tert-butyl-3,4,5,6-tetramethyloxane
SMILESCC1OC(C(C)(C)C)C(C)C(C)C1C
InChIInChI=1S/C13H26O/c1-8-9(2)11(4)14-12(10(8)3)13(5,6)7/h8-12H,1-7H3
InChIKeyBZRFLQMEEVJQOA-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.73
Rot. Bonds

About 2-tert-butyl-3,4,5,6-tetramethyloxane

2-tert-butyl-3,4,5,6-tetramethyloxane (PubChem CID 20707638) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-tert-butyl-3,4,5,6-tetramethyloxane.

Molecular Properties

Compound Name2-tert-butyl-3,4,5,6-tetramethyloxane
PubChem CID20707638
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-tert-butyl-3,4,5,6-tetramethyloxane
SMILESCC1OC(C(C)(C)C)C(C)C(C)C1C
InChIInChI=1S/C13H26O/c1-8-9(2)11(4)14-12(10(8)3)13(5,6)7/h8-12H,1-7H3
InChIKeyBZRFLQMEEVJQOA-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-difluoroethyl)-3,4,5,6-tetramethyloxane
CID 126702754
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
2-tert-butyl-4,6-dimethyloxane-3,5-diol
CID 59892631
[2,3-dimethyl-3-(3,4,5-trimethyloxolan-2-yl)butan-2-yl]-methyl-oxophosphanium
CID 54556726
(2S,3R,5R)-2-tert-butyl-6-methyloxane-3,4,5-triol
CID 58716381
(2S,3S,5R)-2-tert-butyl-6-methyloxane-3,5-diol
CID 164829805
(3R,5S,6R)-6-tert-butyl-2,5-dimethyloxan-3-ol
CID 167642620
(5S)-3,4,5,6-tetramethyloxan-2-ol
CID 142821764
(2R,3S,4S,5R,6R)-2-methanidyl-3,4,5,6-tetramethyloxane;yttrium
CID 59027829
(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
CID 131134310
(2S)-2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
CID 118055686
2,3-dimethyl-5-(2,3,3-trimethylbutan-2-yl)-4-tritiooxyoxolane
CID 58498262

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,5,6-tetramethyloxane?
The IUPAC name of 2-tert-butyl-3,4,5,6-tetramethyloxane (CID 20707638) is 2-tert-butyl-3,4,5,6-tetramethyloxane.
What is the SMILES notation for 2-tert-butyl-3,4,5,6-tetramethyloxane?
The canonical SMILES for 2-tert-butyl-3,4,5,6-tetramethyloxane is CC1OC(C(C)(C)C)C(C)C(C)C1C.
What is the InChIKey of 2-tert-butyl-3,4,5,6-tetramethyloxane?
The InChIKey is BZRFLQMEEVJQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-8-9(2)11(4)14-12(10(8)3)13(5,6)7/h8-12H,1-7H3.
What are the key properties of 2-tert-butyl-3,4,5,6-tetramethyloxane?
2-tert-butyl-3,4,5,6-tetramethyloxane has a molecular weight of 198.35 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4,5,6-tetramethyloxane is sourced from PubChem (CID 20707638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).