(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane

C22H42O4 — CID 10904739

IUPAC(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane
SMILESC[C@@H]1C[C@H](C(C)(C)C)O[C@@](C)(OO[C@]2(C)C[C@@H](C)C[C@@H](C(C)(C)C)O2)C1
InChIInChI=1S/C22H42O4/c1-15-11-17(19(3,4)5)23-21(9,13-15)25-26-22(10)14-16(2)12-18(24-22)20(6,7)8/h15-18H,11-14H2,1-10H3/t15-,16+,17-,18+,21+,22-
InChIKeyBCACXUYDSXUDJI-YIVVYQTISA-N
MW370.57 g/mol
LogP6.09
Rot. Bonds3

About (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane

(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane (PubChem CID 10904739) has the molecular formula C22H42O4 and a molecular weight of 370.57 g/mol. Its IUPAC name is (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane.

Molecular Properties

Compound Name(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane
PubChem CID10904739
Molecular FormulaC22H42O4
Molecular Weight370.57 g/mol
Exact Mass370.31
IUPAC Name(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane
SMILESC[C@@H]1C[C@H](C(C)(C)C)O[C@@](C)(OO[C@]2(C)C[C@@H](C)C[C@@H](C(C)(C)C)O2)C1
InChIInChI=1S/C22H42O4/c1-15-11-17(19(3,4)5)23-21(9,13-15)25-26-22(10)14-16(2)12-18(24-22)20(6,7)8/h15-18H,11-14H2,1-10H3/t15-,16+,17-,18+,21+,22-
InChIKeyBCACXUYDSXUDJI-YIVVYQTISA-N
XLogP6.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane with MolForge

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Launch Full Analysis

Related Compounds

tris(4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane);tris(4-tert-butyl-2,2,6-trimethyl-1,3-dioxane)
CID 159534354
bis(4-tert-butyl-6-methoxy-2,2-dimethyl-1,3-dioxane);bis(4-tert-butyl-2,2,6-trimethyl-1,3-dioxane)
CID 157453267
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592
(4R,6S)-4-tert-butyl-6-[[(4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 57409305
1,1-bis(3-ethylpentan-3-ylperoxy)-2,3,5-trimethylcyclohexane
CID 101294782
(4R,6S)-4-tert-butyl-2,2-dimethyl-6-phenyl-1,3-dioxane
CID 10083371
1,1,5-trimethyl-2,3-bis[(2-methylpropan-2-yl)oxy]cyclohexane
CID 22468312
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
2-tert-butyl-5,5-dimethylmorpholine
CID 43366948
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
1,1-bis(3-ethylhexan-3-ylperoxy)-2,3,5-trimethylcyclohexane
CID 101294836

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane?
The IUPAC name of (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane (CID 10904739) is (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane.
What is the SMILES notation for (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane?
The canonical SMILES for (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane is C[C@@H]1C[C@H](C(C)(C)C)O[C@@](C)(OO[C@]2(C)C[C@@H](C)C[C@@H](C(C)(C)C)O2)C1.
What is the InChIKey of (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane?
The InChIKey is BCACXUYDSXUDJI-YIVVYQTISA-N. The full InChI is InChI=1S/C22H42O4/c1-15-11-17(19(3,4)5)23-21(9,13-15)25-26-22(10)14-16(2)12-18(24-22)20(6,7)8/h15-18H,11-14H2,1-10H3/t15-,16+,17-,18+,21+,22-.
What are the key properties of (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane?
(2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane has a molecular weight of 370.57 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-6-tert-butyl-2-[(2R,4S,6S)-6-tert-butyl-2,4-dimethyloxan-2-yl]peroxy-2,4-dimethyloxane is sourced from PubChem (CID 10904739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).