tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane

C26H50O2SiSn — CID 59889267

IUPACtert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2c(o1)CCCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23O2Si.3C4H9.Sn/c1-14(2,3)17(4,5)16-13-8-6-7-12-11(13)9-10-15-12;3*1-3-4-2;/h9,13H,6-8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyQQKJBWZEZSNELJ-UHFFFAOYSA-N
MW541.48 g/mol
LogP8.73
Rot. Bonds12

About tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane

tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane (PubChem CID 59889267) has the molecular formula C26H50O2SiSn and a molecular weight of 541.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane
PubChem CID59889267
Molecular FormulaC26H50O2SiSn
Molecular Weight541.48 g/mol
Exact Mass542.26
IUPAC Nametert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2c(o1)CCCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23O2Si.3C4H9.Sn/c1-14(2,3)17(4,5)16-13-8-6-7-12-11(13)9-10-15-12;3*1-3-4-2;/h9,13H,6-8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyQQKJBWZEZSNELJ-UHFFFAOYSA-N
XLogP8.73
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.48
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
9-[tert-butyl(dimethyl)silyl]oxy-2-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 71282049
tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11169717
[5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]methanol
CID 163390764
4-butoxy-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran
CID 11346272
tributyl-(3-methyl-1,2-oxazol-5-yl)stannane
CID 2763255
tert-butyl-[(1S,3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 134887343
tert-butyl-dimethyl-(2,3,4,5-tetrahydro-1H-1-benzazepin-5-yloxy)silane
CID 69220700
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
tert-butyl-[2,3-dihydro-1H-inden-2-yl-(5-tributylstannyl-1,3-oxazol-2-yl)methoxy]-dimethylsilane
CID 52951699
(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
CID 25178808
tert-butyl-dimethyl-[2-(2-trimethylsilylethenylidene)cycloheptyl]oxysilane
CID 51349898

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane (CID 59889267) is tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane is CCCC[Sn](CCCC)(CCCC)c1cc2c(o1)CCCC2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane?
The InChIKey is QQKJBWZEZSNELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O2Si.3C4H9.Sn/c1-14(2,3)17(4,5)16-13-8-6-7-12-11(13)9-10-15-12;3*1-3-4-2;/h9,13H,6-8H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane?
tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane has a molecular weight of 541.48 g/mol, XLogP of 8.73, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-tributylstannyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxy]silane is sourced from PubChem (CID 59889267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).