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

C24H46O3Si2 — CID 140983523

IUPACtert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane
SMILESCOC1(C[Si](C)(O[Si](C)(CC2(OC)C=CCC2)C(C)(C)C)C(C)(C)C)C=CCC1
InChIInChI=1S/C24H46O3Si2/c1-21(2,3)28(9,19-23(25-7)15-11-12-16-23)27-29(10,22(4,5)6)20-24(26-8)17-13-14-18-24/h11,13,15,17H,12,14,16,18-20H2,1-10H3
InChIKeyUJEGKVLCSZDGAE-UHFFFAOYSA-N
MW438.80 g/mol
LogP7.22
Rot. Bonds8

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

tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane (PubChem CID 140983523) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane.

Molecular Properties

Compound Nametert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane
PubChem CID140983523
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Nametert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane
SMILESCOC1(C[Si](C)(O[Si](C)(CC2(OC)C=CCC2)C(C)(C)C)C(C)(C)C)C=CCC1
InChIInChI=1S/C24H46O3Si2/c1-21(2,3)28(9,19-23(25-7)15-11-12-16-23)27-29(10,22(4,5)6)20-24(26-8)17-13-14-18-24/h11,13,15,17H,12,14,16,18-20H2,1-10H3
InChIKeyUJEGKVLCSZDGAE-UHFFFAOYSA-N
XLogP7.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 57.22
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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Related Compounds

[dimethyl-[(E)-2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silyl]oxy-dimethyl-[(E)-2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silane
CID 88637725
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
1-[[Tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol
CID 140983527
[Dimethyl-[2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silyl]oxy-dimethyl-[2-methyl-6-[(2-methylpropan-2-yl)oxy]hept-4-en-2-yl]silane
CID 173399486
tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane
CID 100957891
tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079232
tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079233
tert-butyl-[(1R,4S)-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 101257602
(5-Methoxy-5-methylcyclopenten-1-yl)oxy-tri(propan-2-yl)silane
CID 101861567

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane?
The IUPAC name of tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane (CID 140983523) is tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane.
What is the SMILES notation for tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane?
The canonical SMILES for tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane is COC1(C[Si](C)(O[Si](C)(CC2(OC)C=CCC2)C(C)(C)C)C(C)(C)C)C=CCC1.
What is the InChIKey of tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane?
The InChIKey is UJEGKVLCSZDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-21(2,3)28(9,19-23(25-7)15-11-12-16-23)27-29(10,22(4,5)6)20-24(26-8)17-13-14-18-24/h11,13,15,17H,12,14,16,18-20H2,1-10H3.
What are the key properties of tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane?
tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane has a molecular weight of 438.80 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[tert-butyl-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-[(1-methoxycyclopent-2-en-1-yl)methyl]-methylsilane is sourced from PubChem (CID 140983523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).