ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane

C60H124Si8 — CID 139105761

IUPACditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane
SMILESCCC1=C(CC)[Si@]2([Si](C)(C(C)(C)C)C(C)(C)C)C(CC)=C(CC)[Si@]12[Si](C)(C(C)(C)C)C(C)(C)C.CCC1=C(CC)[Si@]2([Si](C)(C(C)(C)C)C(C)(C)C)C(CC)=C(CC)[Si@]12[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C30H62Si4/c2*1-19-23-24(20-2)34(32(18,29(11,12)13)30(14,15)16)26(22-4)25(21-3)33(23,34)31(17,27(5,6)7)28(8,9)10/h2*19-22H2,1-18H3/t2*33-,34+
InChIKeyCSCJTLXKKMOGHL-DDTHYAIJSA-N
MW1070.34 g/mol
LogP21.79
Rot. Bonds12

About ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane

ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane (PubChem CID 139105761) has the molecular formula C60H124Si8 and a molecular weight of 1070.34 g/mol. Its IUPAC name is ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane.

Molecular Properties

Compound Nameditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane
PubChem CID139105761
Molecular FormulaC60H124Si8
Molecular Weight1070.34 g/mol
Exact Mass1068.79
IUPAC Nameditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane
SMILESCCC1=C(CC)[Si@]2([Si](C)(C(C)(C)C)C(C)(C)C)C(CC)=C(CC)[Si@]12[Si](C)(C(C)(C)C)C(C)(C)C.CCC1=C(CC)[Si@]2([Si](C)(C(C)(C)C)C(C)(C)C)C(CC)=C(CC)[Si@]12[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C30H62Si4/c2*1-19-23-24(20-2)34(32(18,29(11,12)13)30(14,15)16)26(22-4)25(21-3)33(23,34)31(17,27(5,6)7)28(8,9)10/h2*19-22H2,1-18H3/t2*33-,34+
InChIKeyCSCJTLXKKMOGHL-DDTHYAIJSA-N
XLogP21.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.34
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane?
The IUPAC name of ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane (CID 139105761) is ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane.
What is the SMILES notation for ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane?
The canonical SMILES for ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane is CCC1=C(CC)[Si@]2([Si](C)(C(C)(C)C)C(C)(C)C)C(CC)=C(CC)[Si@]12[Si](C)(C(C)(C)C)C(C)(C)C.CCC1=C(CC)[Si@]2([Si](C)(C(C)(C)C)C(C)(C)C)C(CC)=C(CC)[Si@]12[Si](C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane?
The InChIKey is CSCJTLXKKMOGHL-DDTHYAIJSA-N. The full InChI is InChI=1S/2C30H62Si4/c2*1-19-23-24(20-2)34(32(18,29(11,12)13)30(14,15)16)26(22-4)25(21-3)33(23,34)31(17,27(5,6)7)28(8,9)10/h2*19-22H2,1-18H3/t2*33-,34+.
What are the key properties of ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane?
ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane has a molecular weight of 1070.34 g/mol, XLogP of 21.79, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[4-[ditert-butyl(methyl)silyl]-2,3,5,6-tetraethyl-1,4-disilabicyclo[2.2.0]hexa-2,5-dien-1-yl]-methylsilane is sourced from PubChem (CID 139105761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).