tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane

C32H62O2Si2 — CID 57260753

IUPACtert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane
SMILESCCCCCCCCC1=CCC(O[Si](CC)(CC)CC)[C@@H]1CCC=C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H62O2Si2/c1-10-14-15-16-18-21-24-29-26-27-31(34-36(11-2,12-3)13-4)30(29)25-22-19-17-20-23-28-33-35(8,9)32(5,6)7/h19-20,26,30-31H,10-16,18,21-25,27-28H2,1-9H3/t17?,30-,31?/m1/s1
InChIKeyIZCFZVXLSBKUJS-CNNVQYEPSA-N
MW535.02 g/mol
LogP10.98
Rot. Bonds19

About tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane

tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane (PubChem CID 57260753) has the molecular formula C32H62O2Si2 and a molecular weight of 535.02 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane
PubChem CID57260753
Molecular FormulaC32H62O2Si2
Molecular Weight535.02 g/mol
Exact Mass534.43
IUPAC Nametert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane
SMILESCCCCCCCCC1=CCC(O[Si](CC)(CC)CC)[C@@H]1CCC=C=CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H62O2Si2/c1-10-14-15-16-18-21-24-29-26-27-31(34-36(11-2,12-3)13-4)30(29)25-22-19-17-20-23-28-33-35(8,9)32(5,6)7/h19-20,26,30-31H,10-16,18,21-25,27-28H2,1-9H3/t17?,30-,31?/m1/s1
InChIKeyIZCFZVXLSBKUJS-CNNVQYEPSA-N
XLogP10.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.02
LogP ≤ 510.98
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-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane (CID 57260753) is tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane is CCCCCCCCC1=CCC(O[Si](CC)(CC)CC)[C@@H]1CCC=C=CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane?
The InChIKey is IZCFZVXLSBKUJS-CNNVQYEPSA-N. The full InChI is InChI=1S/C32H62O2Si2/c1-10-14-15-16-18-21-24-29-26-27-31(34-36(11-2,12-3)13-4)30(29)25-22-19-17-20-23-28-33-35(8,9)32(5,6)7/h19-20,26,30-31H,10-16,18,21-25,27-28H2,1-9H3/t17?,30-,31?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane?
tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane has a molecular weight of 535.02 g/mol, XLogP of 10.98, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-[(1R)-2-octyl-5-triethylsilyloxycyclopent-2-en-1-yl]hepta-3,4-dienoxy]silane is sourced from PubChem (CID 57260753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).