tributyl-[(E)-2-phenylprop-1-enoxy]stannane

C21H36OSn — CID 16704522

IUPACtributyl-[(E)-2-phenylprop-1-enoxy]stannane
SMILESCCCC[Sn](CCCC)(CCCC)O/C=C(\C)c1ccccc1
InChIInChI=1S/C9H10O.3C4H9.Sn/c1-8(7-10)9-5-3-2-4-6-9;3*1-3-4-2;/h2-7,10H,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/b8-7+;;;;
InChIKeyHIBXBECTUXIYGB-YZNHWISSSA-M
MW423.23 g/mol
LogP7.41
Rot. Bonds12

About tributyl-[(E)-2-phenylprop-1-enoxy]stannane

tributyl-[(E)-2-phenylprop-1-enoxy]stannane (PubChem CID 16704522) has the molecular formula C21H36OSn and a molecular weight of 423.23 g/mol. Its IUPAC name is tributyl-[(E)-2-phenylprop-1-enoxy]stannane.

Molecular Properties

Compound Nametributyl-[(E)-2-phenylprop-1-enoxy]stannane
PubChem CID16704522
Molecular FormulaC21H36OSn
Molecular Weight423.23 g/mol
Exact Mass424.18
IUPAC Nametributyl-[(E)-2-phenylprop-1-enoxy]stannane
SMILESCCCC[Sn](CCCC)(CCCC)O/C=C(\C)c1ccccc1
InChIInChI=1S/C9H10O.3C4H9.Sn/c1-8(7-10)9-5-3-2-4-6-9;3*1-3-4-2;/h2-7,10H,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/b8-7+;;;;
InChIKeyHIBXBECTUXIYGB-YZNHWISSSA-M
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.23
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
[[benzoyloxy(dibutyl)stannyl]oxy-dibutylstannyl] benzoate
CID 16705135
[(E)-4-hexadecoxybut-2-en-2-yl]benzene
CID 102429308
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
(2-butoxy-1-phenylethenyl)benzene
CID 57081718
tributylstannyl (E)-3-phenylprop-2-enoate
CID 16687405
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
CID 15688386
(2E,4Z)-2-butyl-5-phenylhexa-2,4-dienoic acid
CID 166794691
1-[(Z)-hex-3-enoxy]prop-1-en-2-ylbenzene
CID 155674731
hexane;1-phenylethanone
CID 160797049
tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-tributylstannyloxyprop-2-en-1-ol
CID 16686478

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-2-phenylprop-1-enoxy]stannane?
The IUPAC name of tributyl-[(E)-2-phenylprop-1-enoxy]stannane (CID 16704522) is tributyl-[(E)-2-phenylprop-1-enoxy]stannane.
What is the SMILES notation for tributyl-[(E)-2-phenylprop-1-enoxy]stannane?
The canonical SMILES for tributyl-[(E)-2-phenylprop-1-enoxy]stannane is CCCC[Sn](CCCC)(CCCC)O/C=C(\C)c1ccccc1.
What is the InChIKey of tributyl-[(E)-2-phenylprop-1-enoxy]stannane?
The InChIKey is HIBXBECTUXIYGB-YZNHWISSSA-M. The full InChI is InChI=1S/C9H10O.3C4H9.Sn/c1-8(7-10)9-5-3-2-4-6-9;3*1-3-4-2;/h2-7,10H,1H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/b8-7+;;;;.
What are the key properties of tributyl-[(E)-2-phenylprop-1-enoxy]stannane?
tributyl-[(E)-2-phenylprop-1-enoxy]stannane has a molecular weight of 423.23 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-2-phenylprop-1-enoxy]stannane is sourced from PubChem (CID 16704522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).