tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane

C25H52OSiSn — CID 24749652

IUPACtert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane
SMILESC=C[C@H](C)[C@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-9-11(3)12(10-2)14-15(7,8)13(4,5)6;3*1-3-4-2;/h2,9-12H,1H2,3-8H3;3*1,3-4H2,2H3;/t11-,12-;;;;/m0..../s1
InChIKeyGZXRAPBSZCGKAQ-RDKDOERDSA-N
MW515.49 g/mol
LogP9.14
Rot. Bonds15

About tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane

tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane (PubChem CID 24749652) has the molecular formula C25H52OSiSn and a molecular weight of 515.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane
PubChem CID24749652
Molecular FormulaC25H52OSiSn
Molecular Weight515.49 g/mol
Exact Mass516.28
IUPAC Nametert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane
SMILESC=C[C@H](C)[C@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-9-11(3)12(10-2)14-15(7,8)13(4,5)6;3*1-3-4-2;/h2,9-12H,1H2,3-8H3;3*1,3-4H2,2H3;/t11-,12-;;;;/m0..../s1
InChIKeyGZXRAPBSZCGKAQ-RDKDOERDSA-N
XLogP9.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 59.14
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane (CID 24749652) is tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane is C=C[C@H](C)[C@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane?
The InChIKey is GZXRAPBSZCGKAQ-RDKDOERDSA-N. The full InChI is InChI=1S/C13H25OSi.3C4H9.Sn/c1-9-11(3)12(10-2)14-15(7,8)13(4,5)6;3*1-3-4-2;/h2,9-12H,1H2,3-8H3;3*1,3-4H2,2H3;/t11-,12-;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane?
tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane has a molecular weight of 515.49 g/mol, XLogP of 9.14, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1E,3R,4S)-4-methyl-1-tributylstannylhexa-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 24749652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).