tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane

C28H54O2Si2 — CID 19836131

IUPACtert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane
SMILESC=CCC1C(CCC(O[Si](C)(C)C(C)(C)C)C2CCCC2)=CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C28H54O2Si2/c1-10-16-25-23(20-22-27(25)30-32(11-2,12-3)13-4)19-21-26(24-17-14-15-18-24)29-31(8,9)28(5,6)7/h10,20,24-27H,1,11-19,21-22H2,2-9H3
InChIKeyAJTOVFSQBLLHHM-UHFFFAOYSA-N
MW478.91 g/mol
LogP9.26
Rot. Bonds13

About tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane

tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane (PubChem CID 19836131) has the molecular formula C28H54O2Si2 and a molecular weight of 478.91 g/mol. Its IUPAC name is tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane
PubChem CID19836131
Molecular FormulaC28H54O2Si2
Molecular Weight478.91 g/mol
Exact Mass478.37
IUPAC Nametert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane
SMILESC=CCC1C(CCC(O[Si](C)(C)C(C)(C)C)C2CCCC2)=CCC1O[Si](CC)(CC)CC
InChIInChI=1S/C28H54O2Si2/c1-10-16-25-23(20-22-27(25)30-32(11-2,12-3)13-4)19-21-26(24-17-14-15-18-24)29-31(8,9)28(5,6)7/h10,20,24-27H,1,11-19,21-22H2,2-9H3
InChIKeyAJTOVFSQBLLHHM-UHFFFAOYSA-N
XLogP9.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.91
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane (CID 19836131) is tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane is C=CCC1C(CCC(O[Si](C)(C)C(C)(C)C)C2CCCC2)=CCC1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane?
The InChIKey is AJTOVFSQBLLHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O2Si2/c1-10-16-25-23(20-22-27(25)30-32(11-2,12-3)13-4)19-21-26(24-17-14-15-18-24)29-31(8,9)28(5,6)7/h10,20,24-27H,1,11-19,21-22H2,2-9H3.
What are the key properties of tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane?
tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane has a molecular weight of 478.91 g/mol, XLogP of 9.26, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-cyclopentyl-3-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 19836131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).