trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane

C21H44OSiSn — CID 597989

IUPACtrimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C9H17OSi.3C4H9.Sn/c1-11(2,3)10-9-7-5-4-6-8-9;3*1-3-4-2;/h5,7H,4,6,8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyAPQAOPYGGXPINK-UHFFFAOYSA-N
MW459.38 g/mol
LogP8.12
Rot. Bonds12

About trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane

trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane (PubChem CID 597989) has the molecular formula C21H44OSiSn and a molecular weight of 459.38 g/mol. Its IUPAC name is trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane
PubChem CID597989
Molecular FormulaC21H44OSiSn
Molecular Weight459.38 g/mol
Exact Mass460.22
IUPAC Nametrimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C9H17OSi.3C4H9.Sn/c1-11(2,3)10-9-7-5-4-6-8-9;3*1-3-4-2;/h5,7H,4,6,8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyAPQAOPYGGXPINK-UHFFFAOYSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane?
The IUPAC name of trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane (CID 597989) is trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane.
What is the SMILES notation for trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane?
The canonical SMILES for trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane is CCCC[Sn](CCCC)(CCCC)C1C=C(O[Si](C)(C)C)CCC1.
What is the InChIKey of trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane?
The InChIKey is APQAOPYGGXPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17OSi.3C4H9.Sn/c1-11(2,3)10-9-7-5-4-6-8-9;3*1-3-4-2;/h5,7H,4,6,8H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane?
trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane has a molecular weight of 459.38 g/mol, XLogP of 8.12, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-tributylstannylcyclohexen-1-yl)oxysilane is sourced from PubChem (CID 597989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).