(1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol

C27H46O2SiSn — CID 134983618

IUPAC(1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol
SMILESCCCC[Sn](/C=C/C(=C1\c2ccccc2[C@@H](O)[C@H]1O)[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C15H19O2Si.3C4H9.Sn/c1-5-12(18(2,3)4)13-10-8-6-7-9-11(10)14(16)15(13)17;3*1-3-4-2;/h1,5-9,14-17H,2-4H3;3*1,3-4H2,2H3;/b5-1?,13-12-;;;;/t14-,15+;;;;/m1..../s1
InChIKeyLBMZFPBRNUVVRU-SEOYAUSWSA-N
MW549.46 g/mol
LogP7.67
Rot. Bonds12

About (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol

(1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol (PubChem CID 134983618) has the molecular formula C27H46O2SiSn and a molecular weight of 549.46 g/mol. Its IUPAC name is (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol
PubChem CID134983618
Molecular FormulaC27H46O2SiSn
Molecular Weight549.46 g/mol
Exact Mass550.23
IUPAC Name(1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol
SMILESCCCC[Sn](/C=C/C(=C1\c2ccccc2[C@@H](O)[C@H]1O)[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C15H19O2Si.3C4H9.Sn/c1-5-12(18(2,3)4)13-10-8-6-7-9-11(10)14(16)15(13)17;3*1-3-4-2;/h1,5-9,14-17H,2-4H3;3*1,3-4H2,2H3;/b5-1?,13-12-;;;;/t14-,15+;;;;/m1..../s1
InChIKeyLBMZFPBRNUVVRU-SEOYAUSWSA-N
XLogP7.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.46
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[(E)-3-[2-(1,3-dioxolan-2-yl)phenyl]prop-1-enyl]stannane
CID 23510461
[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
CID 177489225
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
trimethyl-[(Z)-2-tributylstannylethenyl]silane
CID 12516692
tributyl-[(E)-5-phenylpent-1-enyl]stannane
CID 12793749
(2Z,4E)-3-methyl-5-tributylstannylpenta-2,4-dienoic acid
CID 11050736
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
4-butyl-4H-phthalazin-1-one
CID 67689595
[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
CID 67287602
9-nonyl-9H-fluorene
CID 22568532
N-butyl-N-methyl-9H-fluoren-9-amine
CID 14340271

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol?
The IUPAC name of (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol (CID 134983618) is (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol.
What is the SMILES notation for (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol?
The canonical SMILES for (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol is CCCC[Sn](/C=C/C(=C1\c2ccccc2[C@@H](O)[C@H]1O)[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol?
The InChIKey is LBMZFPBRNUVVRU-SEOYAUSWSA-N. The full InChI is InChI=1S/C15H19O2Si.3C4H9.Sn/c1-5-12(18(2,3)4)13-10-8-6-7-9-11(10)14(16)15(13)17;3*1-3-4-2;/h1,5-9,14-17H,2-4H3;3*1,3-4H2,2H3;/b5-1?,13-12-;;;;/t14-,15+;;;;/m1..../s1.
What are the key properties of (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol?
(1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol has a molecular weight of 549.46 g/mol, XLogP of 7.67, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3Z)-3-[(E)-3-tributylstannyl-1-trimethylsilylprop-2-enylidene]-1,2-dihydroindene-1,2-diol is sourced from PubChem (CID 134983618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).