tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane

C26H50O5Si2 — CID 140983520

IUPACtert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane
SMILESCOCOC1(C[Si](C)(O[Si](C)(CC2(OCOC)C=CCC2)C(C)(C)C)C(C)(C)C)C=CCC1
InChIInChI=1S/C26H50O5Si2/c1-23(2,3)32(9,19-25(29-21-27-7)15-11-12-16-25)31-33(10,24(4,5)6)20-26(30-22-28-8)17-13-14-18-26/h11,13,15,17H,12,14,16,18-22H2,1-10H3
InChIKeyPYWSOEYCWUPFHA-UHFFFAOYSA-N
MW498.85 g/mol
LogP7.17
Rot. Bonds12

About tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane

tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane (PubChem CID 140983520) has the molecular formula C26H50O5Si2 and a molecular weight of 498.85 g/mol. Its IUPAC name is tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane.

Molecular Properties

Compound Nametert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane
PubChem CID140983520
Molecular FormulaC26H50O5Si2
Molecular Weight498.85 g/mol
Exact Mass498.32
IUPAC Nametert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane
SMILESCOCOC1(C[Si](C)(O[Si](C)(CC2(OCOC)C=CCC2)C(C)(C)C)C(C)(C)C)C=CCC1
InChIInChI=1S/C26H50O5Si2/c1-23(2,3)32(9,19-25(29-21-27-7)15-11-12-16-25)31-33(10,24(4,5)6)20-26(30-22-28-8)17-13-14-18-26/h11,13,15,17H,12,14,16,18-22H2,1-10H3
InChIKeyPYWSOEYCWUPFHA-UHFFFAOYSA-N
XLogP7.17
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.85
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane?
The IUPAC name of tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane (CID 140983520) is tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane.
What is the SMILES notation for tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane?
The canonical SMILES for tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane is COCOC1(C[Si](C)(O[Si](C)(CC2(OCOC)C=CCC2)C(C)(C)C)C(C)(C)C)C=CCC1.
What is the InChIKey of tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane?
The InChIKey is PYWSOEYCWUPFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O5Si2/c1-23(2,3)32(9,19-25(29-21-27-7)15-11-12-16-25)31-33(10,24(4,5)6)20-26(30-22-28-8)17-13-14-18-26/h11,13,15,17H,12,14,16,18-22H2,1-10H3.
What are the key properties of tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane?
tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane has a molecular weight of 498.85 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilyl]oxy-[[1-(methoxymethoxy)cyclopent-2-en-1-yl]methyl]-methylsilane is sourced from PubChem (CID 140983520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).