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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Related Compounds

CID 102089057
CID 102089057
CID 13924073
CID 13924073
CID 13924074
CID 13924074
CID 13924076
CID 13924076
CID 18636545
CID 18636545
CID 18636588
CID 18636588
CID 18636596
CID 18636596
CID 18636604
CID 18636604
CID 18636608
CID 18636608
CID 18636628
CID 18636628
CID 18636636
CID 18636636
CID 18636643
CID 18636643

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).