2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C7H22O8Si4 — CID 69471592

IUPAC2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCC(C)[Si]1(O)O[Si](C)(C)O[Si](C)(O)O[Si](O)(O)O1
InChIInChI=1S/C7H22O8Si4/c1-6-7(2)18(9)13-16(3,4)12-17(5,8)14-19(10,11)15-18/h7-11H,6H2,1-5H3
InChIKeyUBTNLWWUSRKFES-UHFFFAOYSA-N
MW346.59 g/mol
LogP-0.52
Rot. Bonds2

About 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 69471592) has the molecular formula C7H22O8Si4 and a molecular weight of 346.59 g/mol. Its IUPAC name is 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID69471592
Molecular FormulaC7H22O8Si4
Molecular Weight346.59 g/mol
Exact Mass346.04
IUPAC Name2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCC(C)[Si]1(O)O[Si](C)(C)O[Si](C)(O)O[Si](O)(O)O1
InChIInChI=1S/C7H22O8Si4/c1-6-7(2)18(9)13-16(3,4)12-17(5,8)14-19(10,11)15-18/h7-11H,6H2,1-5H3
InChIKeyUBTNLWWUSRKFES-UHFFFAOYSA-N
XLogP-0.52
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 69471592) is 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCC(C)[Si]1(O)O[Si](C)(C)O[Si](C)(O)O[Si](O)(O)O1.
What is the InChIKey of 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is UBTNLWWUSRKFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H22O8Si4/c1-6-7(2)18(9)13-16(3,4)12-17(5,8)14-19(10,11)15-18/h7-11H,6H2,1-5H3.
What are the key properties of 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 346.59 g/mol, XLogP of -0.52, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 69471592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).