[4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane

C20H46OSi4 — CID 140992356

IUPAC[4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane
SMILESC[Si](C)(C)C(C=CCOCC=CC([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H46OSi4/c1-22(2,3)19(23(4,5)6)15-13-17-21-18-14-16-20(24(7,8)9)25(10,11)12/h13-16,19-20H,17-18H2,1-12H3
InChIKeyTYAVHUWYAUWQBF-UHFFFAOYSA-N
MW414.93 g/mol
LogP7.29
Rot. Bonds10

About [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane

[4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane (PubChem CID 140992356) has the molecular formula C20H46OSi4 and a molecular weight of 414.93 g/mol. Its IUPAC name is [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane
PubChem CID140992356
Molecular FormulaC20H46OSi4
Molecular Weight414.93 g/mol
Exact Mass414.26
IUPAC Name[4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane
SMILESC[Si](C)(C)C(C=CCOCC=CC([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H46OSi4/c1-22(2,3)19(23(4,5)6)15-13-17-21-18-14-16-20(24(7,8)9)25(10,11)12/h13-16,19-20H,17-18H2,1-12H3
InChIKeyTYAVHUWYAUWQBF-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane?
The IUPAC name of [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane (CID 140992356) is [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane.
What is the SMILES notation for [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane?
The canonical SMILES for [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane is C[Si](C)(C)C(C=CCOCC=CC([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane?
The InChIKey is TYAVHUWYAUWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46OSi4/c1-22(2,3)19(23(4,5)6)15-13-17-21-18-14-16-20(24(7,8)9)25(10,11)12/h13-16,19-20H,17-18H2,1-12H3.
What are the key properties of [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane?
[4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane has a molecular weight of 414.93 g/mol, XLogP of 7.29, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4,4-bis(trimethylsilyl)but-2-enoxy]-1-trimethylsilylbut-2-enyl]-trimethylsilane is sourced from PubChem (CID 140992356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).