1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane

C24H52S6Si4 — CID 15809687

IUPAC1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane
SMILESCC(C)C(C)(C)[Si]12S[Si](C(C)(C)C(C)C)(S1)S[Si]1(C(C)(C)C(C)C)S[Si](C(C)(C)C(C)C)(S1)S2
InChIInChI=1S/C24H52S6Si4/c1-17(2)21(9,10)31-25-32(26-31,22(11,12)18(3)4)30-34(24(15,16)20(7)8)27-33(28-34,29-31)23(13,14)19(5)6/h17-20H,1-16H3
InChIKeyFRYHZYFWVZQREB-UHFFFAOYSA-N
MW645.43 g/mol
LogP11.93
Rot. Bonds8

About 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane

1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane (PubChem CID 15809687) has the molecular formula C24H52S6Si4 and a molecular weight of 645.43 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane.

Molecular Properties

Compound Name1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane
PubChem CID15809687
Molecular FormulaC24H52S6Si4
Molecular Weight645.43 g/mol
Exact Mass644.15
IUPAC Name1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane
SMILESCC(C)C(C)(C)[Si]12S[Si](C(C)(C)C(C)C)(S1)S[Si]1(C(C)(C)C(C)C)S[Si](C(C)(C)C(C)C)(S1)S2
InChIInChI=1S/C24H52S6Si4/c1-17(2)21(9,10)31-25-32(26-31,22(11,12)18(3)4)30-34(24(15,16)20(7)8)27-33(28-34,29-31)23(13,14)19(5)6/h17-20H,1-16H3
InChIKeyFRYHZYFWVZQREB-UHFFFAOYSA-N
XLogP11.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.43
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane with MolForge

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Related Compounds

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2,2,3,3,4,4,5,5,6-nonamethylheptane
CID 18709544
N-tert-butyl-2,3-dimethylbutan-2-amine
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CID 141463943

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane?
The IUPAC name of 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane (CID 15809687) is 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane.
What is the SMILES notation for 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane?
The canonical SMILES for 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane is CC(C)C(C)(C)[Si]12S[Si](C(C)(C)C(C)C)(S1)S[Si]1(C(C)(C)C(C)C)S[Si](C(C)(C)C(C)C)(S1)S2.
What is the InChIKey of 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane?
The InChIKey is FRYHZYFWVZQREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52S6Si4/c1-17(2)21(9,10)31-25-32(26-31,22(11,12)18(3)4)30-34(24(15,16)20(7)8)27-33(28-34,29-31)23(13,14)19(5)6/h17-20H,1-16H3.
What are the key properties of 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane?
1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane has a molecular weight of 645.43 g/mol, XLogP of 11.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrakis(2,3-dimethylbutan-2-yl)-2,4,6,8,9,10-hexathia-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane is sourced from PubChem (CID 15809687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).