tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane

C28H58O3Si2 — CID 173399487

IUPACtert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane
SMILESCC(C=CC[Si](C)(O[Si](C)(CC=CC(C)OC(C)(C)C)C(C)(C)C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C28H58O3Si2/c1-23(29-25(3,4)5)19-17-21-32(15,27(9,10)11)31-33(16,28(12,13)14)22-18-20-24(2)30-26(6,7)8/h17-20,23-24H,21-22H2,1-16H3
InChIKeyDDQIFTDTLIZDLI-UHFFFAOYSA-N
MW498.94 g/mol
LogP9.27
Rot. Bonds10

About tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane

tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane (PubChem CID 173399487) has the molecular formula C28H58O3Si2 and a molecular weight of 498.94 g/mol. Its IUPAC name is tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane.

Molecular Properties

Compound Nametert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane
PubChem CID173399487
Molecular FormulaC28H58O3Si2
Molecular Weight498.94 g/mol
Exact Mass498.39
IUPAC Nametert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane
SMILESCC(C=CC[Si](C)(O[Si](C)(CC=CC(C)OC(C)(C)C)C(C)(C)C)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C28H58O3Si2/c1-23(29-25(3,4)5)19-17-21-32(15,27(9,10)11)31-33(16,28(12,13)14)22-18-20-24(2)30-26(6,7)8/h17-20,23-24H,21-22H2,1-16H3
InChIKeyDDQIFTDTLIZDLI-UHFFFAOYSA-N
XLogP9.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.94
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane?
The IUPAC name of tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane (CID 173399487) is tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane.
What is the SMILES notation for tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane?
The canonical SMILES for tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane is CC(C=CC[Si](C)(O[Si](C)(CC=CC(C)OC(C)(C)C)C(C)(C)C)C(C)(C)C)OC(C)(C)C.
What is the InChIKey of tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane?
The InChIKey is DDQIFTDTLIZDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O3Si2/c1-23(29-25(3,4)5)19-17-21-32(15,27(9,10)11)31-33(16,28(12,13)14)22-18-20-24(2)30-26(6,7)8/h17-20,23-24H,21-22H2,1-16H3.
What are the key properties of tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane?
tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane has a molecular weight of 498.94 g/mol, XLogP of 9.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silyl]oxy-methyl-[4-[(2-methylpropan-2-yl)oxy]pent-2-enyl]silane is sourced from PubChem (CID 173399487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).