tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane

C36H70O2Si2 — CID 57070018

IUPACtert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane
SMILESCCC(CCCCC1C=CCC1)OCC(C)(C)[Si](C)(C)C1=CC(CCCCC(CC)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C36H70O2Si2/c1-12-32(24-18-16-22-30-20-14-15-21-30)37-29-36(6,7)39(8,9)34-27-26-31(28-34)23-17-19-25-33(13-2)38-40(10,11)35(3,4)5/h14,20,28,30-33H,12-13,15-19,21-27,29H2,1-11H3
InChIKeyBKEZMZDTCJCEDT-UHFFFAOYSA-N
MW591.13 g/mol
LogP12.03
Rot. Bonds19

About tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane

tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane (PubChem CID 57070018) has the molecular formula C36H70O2Si2 and a molecular weight of 591.13 g/mol. Its IUPAC name is tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane
PubChem CID57070018
Molecular FormulaC36H70O2Si2
Molecular Weight591.13 g/mol
Exact Mass590.49
IUPAC Nametert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane
SMILESCCC(CCCCC1C=CCC1)OCC(C)(C)[Si](C)(C)C1=CC(CCCCC(CC)O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C36H70O2Si2/c1-12-32(24-18-16-22-30-20-14-15-21-30)37-29-36(6,7)39(8,9)34-27-26-31(28-34)23-17-19-25-33(13-2)38-40(10,11)35(3,4)5/h14,20,28,30-33H,12-13,15-19,21-27,29H2,1-11H3
InChIKeyBKEZMZDTCJCEDT-UHFFFAOYSA-N
XLogP12.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.13
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane (CID 57070018) is tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane is CCC(CCCCC1C=CCC1)OCC(C)(C)[Si](C)(C)C1=CC(CCCCC(CC)O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane?
The InChIKey is BKEZMZDTCJCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70O2Si2/c1-12-32(24-18-16-22-30-20-14-15-21-30)37-29-36(6,7)39(8,9)34-27-26-31(28-34)23-17-19-25-33(13-2)38-40(10,11)35(3,4)5/h14,20,28,30-33H,12-13,15-19,21-27,29H2,1-11H3.
What are the key properties of tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane?
tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane has a molecular weight of 591.13 g/mol, XLogP of 12.03, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[7-[3-[[1-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-2-methylpropan-2-yl]-dimethylsilyl]cyclopent-2-en-1-yl]heptan-3-yloxy]-dimethylsilane is sourced from PubChem (CID 57070018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).