triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane

C29H54OSiSn — CID 67429705

IUPACtriethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane
SMILESCCCC[Sn](/C=C/[C@H](CCc1ccccc1)O[Si](CC)(CC)CC)(CCCC)CCCC
InChIInChI=1S/C17H27OSi.3C4H9.Sn/c1-5-17(18-19(6-2,7-3)8-4)15-14-16-12-10-9-11-13-16;3*1-3-4-2;/h1,5,9-13,17H,6-8,14-15H2,2-4H3;3*1,3-4H2,2H3;/t17-;;;;/m1..../s1
InChIKeyCNAIWMQITWTFSL-GIZSFIMASA-N
MW565.55 g/mol
LogP9.95
Rot. Bonds19

About triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane

triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane (PubChem CID 67429705) has the molecular formula C29H54OSiSn and a molecular weight of 565.55 g/mol. Its IUPAC name is triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane
PubChem CID67429705
Molecular FormulaC29H54OSiSn
Molecular Weight565.55 g/mol
Exact Mass566.30
IUPAC Nametriethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane
SMILESCCCC[Sn](/C=C/[C@H](CCc1ccccc1)O[Si](CC)(CC)CC)(CCCC)CCCC
InChIInChI=1S/C17H27OSi.3C4H9.Sn/c1-5-17(18-19(6-2,7-3)8-4)15-14-16-12-10-9-11-13-16;3*1-3-4-2;/h1,5,9-13,17H,6-8,14-15H2,2-4H3;3*1,3-4H2,2H3;/t17-;;;;/m1..../s1
InChIKeyCNAIWMQITWTFSL-GIZSFIMASA-N
XLogP9.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.55
LogP ≤ 59.95
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

(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
CID 50993196
tributyl-[(E)-5-phenylpent-1-enyl]stannane
CID 12793749
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
CID 25214897
3-methoxyhex-4-enylbenzene
CID 71364959
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
butyl-tris(phenylmethoxy)stannane
CID 16688200
1-phenylheptan-3-ol
CID 10420110
(E,5S,6R)-6-methyl-8-phenyl-5-triethylsilyloxyoct-2-enoic acid
CID 101407480
methyl (E)-7-[(1R,2R,3R)-5-oxo-2-[(E,3S)-5-phenyl-3-triethylsilyloxypent-1-enyl]-3-triethylsilyloxycyclopentyl]hept-5-enoate
CID 46913236

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane (CID 67429705) is triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane is CCCC[Sn](/C=C/[C@H](CCc1ccccc1)O[Si](CC)(CC)CC)(CCCC)CCCC.
What is the InChIKey of triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane?
The InChIKey is CNAIWMQITWTFSL-GIZSFIMASA-N. The full InChI is InChI=1S/C17H27OSi.3C4H9.Sn/c1-5-17(18-19(6-2,7-3)8-4)15-14-16-12-10-9-11-13-16;3*1-3-4-2;/h1,5,9-13,17H,6-8,14-15H2,2-4H3;3*1,3-4H2,2H3;/t17-;;;;/m1..../s1.
What are the key properties of triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane?
triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane has a molecular weight of 565.55 g/mol, XLogP of 9.95, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E,3S)-5-phenyl-1-tributylstannylpent-1-en-3-yl]oxysilane is sourced from PubChem (CID 67429705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).