[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane

C25H50O2SiSn — CID 11005933

IUPAC[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1CC=C([Sn](C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C22H41O2Si.3CH3.Sn/c1-17(2)25(18(3)4,19(5)6)24-16-21(20-12-10-11-13-20)14-15-23-22(7,8)9;;;;/h10,14,17-20H,12-13,15-16H2,1-9H3;3*1H3;/b21-14-;;;;/t20-;;;;/m1..../s1
InChIKeyGEXYGQGDMKNTBP-DMIVFHAISA-N
MW529.47 g/mol
LogP8.13
Rot. Bonds10

About [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane

[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane (PubChem CID 11005933) has the molecular formula C25H50O2SiSn and a molecular weight of 529.47 g/mol. Its IUPAC name is [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane
PubChem CID11005933
Molecular FormulaC25H50O2SiSn
Molecular Weight529.47 g/mol
Exact Mass530.26
IUPAC Name[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1CC=C([Sn](C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C22H41O2Si.3CH3.Sn/c1-17(2)25(18(3)4,19(5)6)24-16-21(20-12-10-11-13-20)14-15-23-22(7,8)9;;;;/h10,14,17-20H,12-13,15-16H2,1-9H3;3*1H3;/b21-14-;;;;/t20-;;;;/m1..../s1
InChIKeyGEXYGQGDMKNTBP-DMIVFHAISA-N
XLogP8.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane
CID 10638890
tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane
CID 10917476
[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
CID 10973544
tert-butyl-[5-[(E)-4-methoxybut-2-en-2-yl]cyclopenten-1-yl]oxy-dimethylsilane
CID 100957892
tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079232
tert-butyl-[(2R)-2-[[(5R)-3,5-diethyl-2H-furan-5-yl]methyl]butoxy]-dimethylsilane
CID 101770824
2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
CID 132821689
tert-butyl-[2-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane
CID 132821690
2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
CID 132821692
tert-butyl-[2-[(1R,2S)-2-ethoxycyclopent-3-en-1-yl]ethoxy]-dimethylsilane
CID 132821693

Frequently Asked Questions

What is the IUPAC name of [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane (CID 11005933) is [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1CC=C([Sn](C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane?
The InChIKey is GEXYGQGDMKNTBP-DMIVFHAISA-N. The full InChI is InChI=1S/C22H41O2Si.3CH3.Sn/c1-17(2)25(18(3)4,19(5)6)24-16-21(20-12-10-11-13-20)14-15-23-22(7,8)9;;;;/h10,14,17-20H,12-13,15-16H2,1-9H3;3*1H3;/b21-14-;;;;/t20-;;;;/m1..../s1.
What are the key properties of [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane?
[(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane has a molecular weight of 529.47 g/mol, XLogP of 8.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[(2-methylpropan-2-yl)oxy]-2-[(1R)-3-trimethylstannylcyclopent-3-en-1-yl]but-2-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11005933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).