[3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane

C21H30SSi2 — CID 134853405

IUPAC[3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C(CCCc2cc3ccccc3s2)=C1
InChIInChI=1S/C21H30SSi2/c1-23(2,3)20-15-17(21(20)24(4,5)6)11-9-12-18-14-16-10-7-8-13-19(16)22-18/h7-8,10,13-15H,9,11-12H2,1-6H3
InChIKeyDGGAVHJQBVMRDR-UHFFFAOYSA-N
MW370.71 g/mol
LogP7.22
Rot. Bonds6

About [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane

[3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane (PubChem CID 134853405) has the molecular formula C21H30SSi2 and a molecular weight of 370.71 g/mol. Its IUPAC name is [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
PubChem CID134853405
Molecular FormulaC21H30SSi2
Molecular Weight370.71 g/mol
Exact Mass370.16
IUPAC Name[3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C([Si](C)(C)C)C(CCCc2cc3ccccc3s2)=C1
InChIInChI=1S/C21H30SSi2/c1-23(2,3)20-15-17(21(20)24(4,5)6)11-9-12-18-14-16-10-7-8-13-19(16)22-18/h7-8,10,13-15H,9,11-12H2,1-6H3
InChIKeyDGGAVHJQBVMRDR-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?
The IUPAC name of [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane (CID 134853405) is [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?
The canonical SMILES for [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane is C[Si](C)(C)C1=C([Si](C)(C)C)C(CCCc2cc3ccccc3s2)=C1.
What is the InChIKey of [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?
The InChIKey is DGGAVHJQBVMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30SSi2/c1-23(2,3)20-15-17(21(20)24(4,5)6)11-9-12-18-14-16-10-7-8-13-19(16)22-18/h7-8,10,13-15H,9,11-12H2,1-6H3.
What are the key properties of [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane?
[3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 370.71 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-benzothiophen-2-yl)propyl]-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 134853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).