tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane

C30H40O2Si2 — CID 15399749

IUPACtert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c3ccccc3c(O[Si](C)(C)C(C)(C)C)cc2c2ccccc12
InChIInChI=1S/C30H40O2Si2/c1-29(2,3)33(7,8)31-27-19-25-22-16-12-14-18-24(22)28(32-34(9,10)30(4,5)6)20-26(25)21-15-11-13-17-23(21)27/h11-20H,1-10H3
InChIKeyBSTDQOKQWQJXLT-UHFFFAOYSA-N
MW488.82 g/mol
LogP9.91
Rot. Bonds4

About tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane

tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane (PubChem CID 15399749) has the molecular formula C30H40O2Si2 and a molecular weight of 488.82 g/mol. Its IUPAC name is tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
PubChem CID15399749
Molecular FormulaC30H40O2Si2
Molecular Weight488.82 g/mol
Exact Mass488.26
IUPAC Nametert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c3ccccc3c(O[Si](C)(C)C(C)(C)C)cc2c2ccccc12
InChIInChI=1S/C30H40O2Si2/c1-29(2,3)33(7,8)31-27-19-25-22-16-12-14-18-24(22)28(32-34(9,10)30(4,5)6)20-26(25)21-15-11-13-17-23(21)27/h11-20H,1-10H3
InChIKeyBSTDQOKQWQJXLT-UHFFFAOYSA-N
XLogP9.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.82
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-amine
CID 58260729
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
magnesium;tert-butyl-(2-methanidylphenoxy)-dimethylsilane;bromide
CID 155934536
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-chlorophenoxy]-tert-butyl-dimethylsilane
CID 11168019
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
tert-butyl-dimethyl-[(2-methyl-1-benzofuran-4-yl)oxy]silane
CID 22595863
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate
CID 6430582
N-[[4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]methyl]prop-2-en-1-amine
CID 58911416
tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
CID 58625508

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane (CID 15399749) is tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc2c3ccccc3c(O[Si](C)(C)C(C)(C)C)cc2c2ccccc12.
What is the InChIKey of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane?
The InChIKey is BSTDQOKQWQJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O2Si2/c1-29(2,3)33(7,8)31-27-19-25-22-16-12-14-18-24(22)28(32-34(9,10)30(4,5)6)20-26(25)21-15-11-13-17-23(21)27/h11-20H,1-10H3.
What are the key properties of tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane?
tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane has a molecular weight of 488.82 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 15399749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).