tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane

C25H54OSiSn — CID 135049041

IUPACtert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane
SMILESCCCC[Sn](C/C=C/CC[C@H](C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H27OSi.3C4H9.Sn/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5;3*1-3-4-2;/h8-9,12H,1,10-11H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;/t12-;;;;/m0..../s1
InChIKeyBNALHNUBDFLMCM-KTEKPGDISA-N
MW517.50 g/mol
LogP9.58
Rot. Bonds16

About tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane (PubChem CID 135049041) has the molecular formula C25H54OSiSn and a molecular weight of 517.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane
PubChem CID135049041
Molecular FormulaC25H54OSiSn
Molecular Weight517.50 g/mol
Exact Mass518.30
IUPAC Nametert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane
SMILESCCCC[Sn](C/C=C/CC[C@H](C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H27OSi.3C4H9.Sn/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5;3*1-3-4-2;/h8-9,12H,1,10-11H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;/t12-;;;;/m0..../s1
InChIKeyBNALHNUBDFLMCM-KTEKPGDISA-N
XLogP9.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.50
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
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CID 5353200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane (CID 135049041) is tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane is CCCC[Sn](C/C=C/CC[C@H](C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane?
The InChIKey is BNALHNUBDFLMCM-KTEKPGDISA-N. The full InChI is InChI=1S/C13H27OSi.3C4H9.Sn/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5;3*1-3-4-2;/h8-9,12H,1,10-11H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;/t12-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane has a molecular weight of 517.50 g/mol, XLogP of 9.58, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-7-tributylstannylhept-5-en-2-yl]oxysilane is sourced from PubChem (CID 135049041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).