[2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane

C40H82Si3 — CID 177498550

IUPAC[2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12C3C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C40H82Si3/c1-29(2,3)41(30(4,5)6,31(7,8)9)38-28-39(38,42(32(10,11)12,33(13,14)15)34(16,17)18)40(28,38)43(35(19,20)21,36(22,23)24)37(25,26)27/h28H,1-27H3
InChIKeyOEEPAYLJRGHPSZ-UHFFFAOYSA-N
MW647.35 g/mol
LogP15.41
Rot. Bonds3

About [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane

[2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane (PubChem CID 177498550) has the molecular formula C40H82Si3 and a molecular weight of 647.35 g/mol. Its IUPAC name is [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane.

Molecular Properties

Compound Name[2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane
PubChem CID177498550
Molecular FormulaC40H82Si3
Molecular Weight647.35 g/mol
Exact Mass646.57
IUPAC Name[2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12C3C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C40H82Si3/c1-29(2,3)41(30(4,5)6,31(7,8)9)38-28-39(38,42(32(10,11)12,33(13,14)15)34(16,17)18)40(28,38)43(35(19,20)21,36(22,23)24)37(25,26)27/h28H,1-27H3
InChIKeyOEEPAYLJRGHPSZ-UHFFFAOYSA-N
XLogP15.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.35
LogP ≤ 515.41
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 [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane?
The IUPAC name of [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane (CID 177498550) is [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane.
What is the SMILES notation for [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane?
The canonical SMILES for [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane is CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C12C3C1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C32[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane?
The InChIKey is OEEPAYLJRGHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82Si3/c1-29(2,3)41(30(4,5)6,31(7,8)9)38-28-39(38,42(32(10,11)12,33(13,14)15)34(16,17)18)40(28,38)43(35(19,20)21,36(22,23)24)37(25,26)27/h28H,1-27H3.
What are the key properties of [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane?
[2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane has a molecular weight of 647.35 g/mol, XLogP of 15.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(tritert-butylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]-tritert-butylsilane is sourced from PubChem (CID 177498550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).