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

C21H42OSiSn — CID 10917476

IUPACtri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane
SMILESC/C=C(/CO[Si](C(C)C)(C(C)C)C(C)C)C1CC=C([Sn](C)(C)C)C1
InChIInChI=1S/C18H33OSi.3CH3.Sn/c1-8-17(18-11-9-10-12-18)13-19-20(14(2)3,15(4)5)16(6)7;;;;/h8-9,14-16,18H,11-13H2,1-7H3;3*1H3;/b17-8-;;;;
InChIKeyIYFULKFNSCPHOR-ISYSVTLQSA-N
MW457.36 g/mol
LogP7.34
Rot. Bonds8

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

tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane (PubChem CID 10917476) has the molecular formula C21H42OSiSn and a molecular weight of 457.36 g/mol. Its IUPAC name is tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane
PubChem CID10917476
Molecular FormulaC21H42OSiSn
Molecular Weight457.36 g/mol
Exact Mass458.20
IUPAC Nametri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane
SMILESC/C=C(/CO[Si](C(C)C)(C(C)C)C(C)C)C1CC=C([Sn](C)(C)C)C1
InChIInChI=1S/C18H33OSi.3CH3.Sn/c1-8-17(18-11-9-10-12-18)13-19-20(14(2)3,15(4)5)16(6)7;;;;/h8-9,14-16,18H,11-13H2,1-7H3;3*1H3;/b17-8-;;;;
InChIKeyIYFULKFNSCPHOR-ISYSVTLQSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane (CID 10917476) is tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane is C/C=C(/CO[Si](C(C)C)(C(C)C)C(C)C)C1CC=C([Sn](C)(C)C)C1.
What is the InChIKey of tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane?
The InChIKey is IYFULKFNSCPHOR-ISYSVTLQSA-N. The full InChI is InChI=1S/C18H33OSi.3CH3.Sn/c1-8-17(18-11-9-10-12-18)13-19-20(14(2)3,15(4)5)16(6)7;;;;/h8-9,14-16,18H,11-13H2,1-7H3;3*1H3;/b17-8-;;;;.
What are the key properties of tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane?
tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane has a molecular weight of 457.36 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(E)-2-(3-trimethylstannylcyclopent-3-en-1-yl)but-2-enoxy]silane is sourced from PubChem (CID 10917476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).