tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane

C37H64O3Si3 — CID 68940291

IUPACtert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC1(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc2C1
InChIInChI=1S/C37H64O3Si3/c1-34(2,3)41(10,11)38-26-25-37(31-19-22-32(23-20-31)39-42(12,13)35(4,5)6)24-16-17-29-27-33(21-18-30(29)28-37)40-43(14,15)36(7,8)9/h18-23,27H,16-17,24-26,28H2,1-15H3
InChIKeyNLTDDHVSXPWPAW-UHFFFAOYSA-N
MW641.17 g/mol
LogP11.68
Rot. Bonds9

About tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane (PubChem CID 68940291) has the molecular formula C37H64O3Si3 and a molecular weight of 641.17 g/mol. Its IUPAC name is tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane
PubChem CID68940291
Molecular FormulaC37H64O3Si3
Molecular Weight641.17 g/mol
Exact Mass640.42
IUPAC Nametert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC1(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc2C1
InChIInChI=1S/C37H64O3Si3/c1-34(2,3)41(10,11)38-26-25-37(31-19-22-32(23-20-31)39-42(12,13)35(4,5)6)24-16-17-29-27-33(21-18-30(29)28-37)40-43(14,15)36(7,8)9/h18-23,27H,16-17,24-26,28H2,1-15H3
InChIKeyNLTDDHVSXPWPAW-UHFFFAOYSA-N
XLogP11.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.17
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane (CID 68940291) is tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC1(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)CCCc2cc(O[Si](C)(C)C(C)(C)C)ccc2C1.
What is the InChIKey of tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane?
The InChIKey is NLTDDHVSXPWPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64O3Si3/c1-34(2,3)41(10,11)38-26-25-37(31-19-22-32(23-20-31)39-42(12,13)35(4,5)6)24-16-17-29-27-33(21-18-30(29)28-37)40-43(14,15)36(7,8)9/h18-23,27H,16-17,24-26,28H2,1-15H3.
What are the key properties of tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane has a molecular weight of 641.17 g/mol, XLogP of 11.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 68940291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).