[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane

C18H35ClOSiSn — CID 11408310

IUPAC[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane
SMILESC=C(Cl)/C=C/[C@H](CC(=C)C[Sn](CC)(CC)CC)O[Si](C)(C)C
InChIInChI=1S/C12H20ClOSi.3C2H5.Sn/c1-10(2)9-12(8-7-11(3)13)14-15(4,5)6;3*1-2;/h7-8,12H,1-3,9H2,4-6H3;3*1H2,2H3;/b8-7+;;;;/t12-;;;;/m1..../s1
InChIKeyDGAVULNLIGFVBB-JSWVOBLSSA-N
MW449.73 g/mol
LogP6.97
Rot. Bonds11

About [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane

[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane (PubChem CID 11408310) has the molecular formula C18H35ClOSiSn and a molecular weight of 449.73 g/mol. Its IUPAC name is [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane
PubChem CID11408310
Molecular FormulaC18H35ClOSiSn
Molecular Weight449.73 g/mol
Exact Mass450.12
IUPAC Name[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane
SMILESC=C(Cl)/C=C/[C@H](CC(=C)C[Sn](CC)(CC)CC)O[Si](C)(C)C
InChIInChI=1S/C12H20ClOSi.3C2H5.Sn/c1-10(2)9-12(8-7-11(3)13)14-15(4,5)6;3*1-2;/h7-8,12H,1-3,9H2,4-6H3;3*1H2,2H3;/b8-7+;;;;/t12-;;;;/m1..../s1
InChIKeyDGAVULNLIGFVBB-JSWVOBLSSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 56.97
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane?
The IUPAC name of [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane (CID 11408310) is [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane is C=C(Cl)/C=C/[C@H](CC(=C)C[Sn](CC)(CC)CC)O[Si](C)(C)C.
What is the InChIKey of [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane?
The InChIKey is DGAVULNLIGFVBB-JSWVOBLSSA-N. The full InChI is InChI=1S/C12H20ClOSi.3C2H5.Sn/c1-10(2)9-12(8-7-11(3)13)14-15(4,5)6;3*1-2;/h7-8,12H,1-3,9H2,4-6H3;3*1H2,2H3;/b8-7+;;;;/t12-;;;;/m1..../s1.
What are the key properties of [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane?
[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane has a molecular weight of 449.73 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 11408310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).