lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate

C21H35LiOSn — CID 135050377

IUPAClithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate
SMILESCCCC[Sn](C/C=C(\[O-])c1ccccc1)(CCCC)CCCC.[Li+]
InChIInChI=1S/C9H9O.3C4H9.Li.Sn/c1-2-9(10)8-6-4-3-5-7-8;3*1-3-4-2;;/h2-7,10H,1H2;3*1,3-4H2,2H3;;/q;;;;+1;/p-1/b9-2-;;;;;
InChIKeyVWUWWRRZELBBIA-HFCFNBBXSA-M
MW429.16 g/mol
LogP3.24
Rot. Bonds12

About lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate

lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate (PubChem CID 135050377) has the molecular formula C21H35LiOSn and a molecular weight of 429.16 g/mol. Its IUPAC name is lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate.

Molecular Properties

Compound Namelithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate
PubChem CID135050377
Molecular FormulaC21H35LiOSn
Molecular Weight429.16 g/mol
Exact Mass430.19
IUPAC Namelithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate
SMILESCCCC[Sn](C/C=C(\[O-])c1ccccc1)(CCCC)CCCC.[Li+]
InChIInChI=1S/C9H9O.3C4H9.Li.Sn/c1-2-9(10)8-6-4-3-5-7-8;3*1-3-4-2;;/h2-7,10H,1H2;3*1,3-4H2,2H3;;/q;;;;+1;/p-1/b9-2-;;;;;
InChIKeyVWUWWRRZELBBIA-HFCFNBBXSA-M
XLogP3.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.16
LogP ≤ 53.24
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

N-methyl-N-(tributylstannylmethyl)benzenecarbothioamide
CID 11612193
(Z)-1-phenyl-6-tributylstannylhex-4-en-3-ol
CID 177410163
5-tributylstannylpentyl benzoate
CID 11533119
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
CID 15688386
tributyl-[(E)-2-phenylprop-1-enoxy]stannane
CID 16704522
tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
tributyl-[(S)-deuterio(phenyl)methyl]stannane
CID 138962774
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
[(E)-hept-2-en-3-yl]benzene
CID 14568345
[(Z)-non-3-en-4-yl]benzene
CID 101008148
bis(octadecanoate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium
CID 50937250

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate?
The IUPAC name of lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate (CID 135050377) is lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate.
What is the SMILES notation for lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate?
The canonical SMILES for lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate is CCCC[Sn](C/C=C(\[O-])c1ccccc1)(CCCC)CCCC.[Li+].
What is the InChIKey of lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate?
The InChIKey is VWUWWRRZELBBIA-HFCFNBBXSA-M. The full InChI is InChI=1S/C9H9O.3C4H9.Li.Sn/c1-2-9(10)8-6-4-3-5-7-8;3*1-3-4-2;;/h2-7,10H,1H2;3*1,3-4H2,2H3;;/q;;;;+1;/p-1/b9-2-;;;;;.
What are the key properties of lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate?
lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate has a molecular weight of 429.16 g/mol, XLogP of 3.24, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate is sourced from PubChem (CID 135050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).