tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane

C27H56OSiSn — CID 14127261

IUPACtert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)(CCCC)CCCC
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4;3*1-3-4-2;/h1,7,13-14H,8-12H2,2-6H3;3*1,3-4H2,2H3;/t14-;;;;/m1..../s1
InChIKeyFVWKLDBQHUFBOB-WGVOJFRMSA-N
MW543.54 g/mol
LogP9.90
Rot. Bonds14

About tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane (PubChem CID 14127261) has the molecular formula C27H56OSiSn and a molecular weight of 543.54 g/mol. Its IUPAC name is tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane
PubChem CID14127261
Molecular FormulaC27H56OSiSn
Molecular Weight543.54 g/mol
Exact Mass544.31
IUPAC Nametert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)(CCCC)CCCC
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4;3*1-3-4-2;/h1,7,13-14H,8-12H2,2-6H3;3*1,3-4H2,2H3;/t14-;;;;/m1..../s1
InChIKeyFVWKLDBQHUFBOB-WGVOJFRMSA-N
XLogP9.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.54
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 141638158
tert-butyl-[(1S)-1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane;sulfane
CID 161112104
Tert-butyl-[1-(4,4-difluorocyclohexyl)but-3-enoxy]-dimethylsilane
CID 173781464
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
(Z)-1-cyclohexyl-3-tributylstannyl-3-trimethylsilylprop-2-en-1-ol
CID 10458683
Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
(1-Cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
CID 44518239
(6S)-6-cyclohexyl-2,2-dimethyl-3,6-dihydrooxasiline
CID 101106396
Tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
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[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane (CID 14127261) is tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane is CCCC[Sn](/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane?
The InChIKey is FVWKLDBQHUFBOB-WGVOJFRMSA-N. The full InChI is InChI=1S/C15H29OSi.3C4H9.Sn/c1-7-14(13-11-9-8-10-12-13)16-17(5,6)15(2,3)4;3*1-3-4-2;/h1,7,13-14H,8-12H2,2-6H3;3*1,3-4H2,2H3;/t14-;;;;/m1..../s1.
What are the key properties of tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane has a molecular weight of 543.54 g/mol, XLogP of 9.90, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S)-1-cyclohexyl-3-tributylstannylprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 14127261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).