bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

C46H88O2Si3 — CID 90817041

IUPACbis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESC=CCCCC[Si](OC1CCCC2C1CC(C)C2[Si](C)(C)C1C(C)CC2C(O[Si](CCCCC=C)(C(C)C)C(C)C)CCCC21)(C(C)C)C(C)C
InChIInChI=1S/C46H88O2Si3/c1-15-17-19-21-29-50(33(3)4,34(5)6)47-43-27-23-25-39-41(43)31-37(11)45(39)49(13,14)46-38(12)32-42-40(46)26-24-28-44(42)48-51(35(7)8,36(9)10)30-22-20-18-16-2/h15-16,33-46H,1-2,17-32H2,3-14H3
InChIKeyCNPOYLBKCCHENB-UHFFFAOYSA-N
MW757.47 g/mol
LogP15.36
Rot. Bonds20

About bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane

bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 90817041) has the molecular formula C46H88O2Si3 and a molecular weight of 757.47 g/mol. Its IUPAC name is bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID90817041
Molecular FormulaC46H88O2Si3
Molecular Weight757.47 g/mol
Exact Mass756.61
IUPAC Namebis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
SMILESC=CCCCC[Si](OC1CCCC2C1CC(C)C2[Si](C)(C)C1C(C)CC2C(O[Si](CCCCC=C)(C(C)C)C(C)C)CCCC21)(C(C)C)C(C)C
InChIInChI=1S/C46H88O2Si3/c1-15-17-19-21-29-50(33(3)4,34(5)6)47-43-27-23-25-39-41(43)31-37(11)45(39)49(13,14)46-38(12)32-42-40(46)26-24-28-44(42)48-51(35(7)8,36(9)10)30-22-20-18-16-2/h15-16,33-46H,1-2,17-32H2,3-14H3
InChIKeyCNPOYLBKCCHENB-UHFFFAOYSA-N
XLogP15.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.47
LogP ≤ 515.36
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 bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane (CID 90817041) is bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is C=CCCCC[Si](OC1CCCC2C1CC(C)C2[Si](C)(C)C1C(C)CC2C(O[Si](CCCCC=C)(C(C)C)C(C)C)CCCC21)(C(C)C)C(C)C.
What is the InChIKey of bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is CNPOYLBKCCHENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H88O2Si3/c1-15-17-19-21-29-50(33(3)4,34(5)6)47-43-27-23-25-39-41(43)31-37(11)45(39)49(13,14)46-38(12)32-42-40(46)26-24-28-44(42)48-51(35(7)8,36(9)10)30-22-20-18-16-2/h15-16,33-46H,1-2,17-32H2,3-14H3.
What are the key properties of bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane?
bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 757.47 g/mol, XLogP of 15.36, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 90817041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).