[2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane

C26H56OSi4 — CID 177443133

IUPAC[2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(/C(=C(\O[Si](C)(C)C)C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C26H56OSi4/c1-20-18-22(31(19-21(20)2,29(12,13)14)30(15,16)17)23(25(3,4)5)24(26(6,7)8)27-28(9,10)11/h22H,18-19H2,1-17H3/b24-23+
InChIKeyMRYVCHWCBNKVPU-WCWDXBQESA-N
MW497.08 g/mol
LogP9.58
Rot. Bonds5

About [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane

[2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane (PubChem CID 177443133) has the molecular formula C26H56OSi4 and a molecular weight of 497.08 g/mol. Its IUPAC name is [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane
PubChem CID177443133
Molecular FormulaC26H56OSi4
Molecular Weight497.08 g/mol
Exact Mass496.34
IUPAC Name[2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(/C(=C(\O[Si](C)(C)C)C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C26H56OSi4/c1-20-18-22(31(19-21(20)2,29(12,13)14)30(15,16)17)23(25(3,4)5)24(26(6,7)8)27-28(9,10)11/h22H,18-19H2,1-17H3/b24-23+
InChIKeyMRYVCHWCBNKVPU-WCWDXBQESA-N
XLogP9.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.08
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane?
The IUPAC name of [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane (CID 177443133) is [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane.
What is the SMILES notation for [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane?
The canonical SMILES for [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane is CC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(/C(=C(\O[Si](C)(C)C)C(C)(C)C)C(C)(C)C)C1.
What is the InChIKey of [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane?
The InChIKey is MRYVCHWCBNKVPU-WCWDXBQESA-N. The full InChI is InChI=1S/C26H56OSi4/c1-20-18-22(31(19-21(20)2,29(12,13)14)30(15,16)17)23(25(3,4)5)24(26(6,7)8)27-28(9,10)11/h22H,18-19H2,1-17H3/b24-23+.
What are the key properties of [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane?
[2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane has a molecular weight of 497.08 g/mol, XLogP of 9.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-1-tert-butyl-3,3-dimethyl-2-trimethylsilyloxybut-1-enyl]-4,5-dimethyl-1-trimethylsilyl-3,6-dihydro-2H-silin-1-yl]-trimethylsilane is sourced from PubChem (CID 177443133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).