trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane

C24H50SiSn — CID 11317725

IUPACtrimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane
SMILESCCCC[Sn](/C=C/C[C@@H](C)/C=C(/CC)[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H23Si.3C4H9.Sn/c1-7-9-11(3)10-12(8-2)13(4,5)6;3*1-3-4-2;/h1,7,10-11H,8-9H2,2-6H3;3*1,3-4H2,2H3;/b7-1?,12-10-;;;;/t11-;;;;/m1..../s1
InChIKeyLWJPWKHDNVMUGG-YNGBPTKVSA-N
MW485.46 g/mol
LogP9.17
Rot. Bonds15

About trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane

trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane (PubChem CID 11317725) has the molecular formula C24H50SiSn and a molecular weight of 485.46 g/mol. Its IUPAC name is trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane
PubChem CID11317725
Molecular FormulaC24H50SiSn
Molecular Weight485.46 g/mol
Exact Mass486.27
IUPAC Nametrimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane
SMILESCCCC[Sn](/C=C/C[C@@H](C)/C=C(/CC)[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H23Si.3C4H9.Sn/c1-7-9-11(3)10-12(8-2)13(4,5)6;3*1-3-4-2;/h1,7,10-11H,8-9H2,2-6H3;3*1,3-4H2,2H3;/b7-1?,12-10-;;;;/t11-;;;;/m1..../s1
InChIKeyLWJPWKHDNVMUGG-YNGBPTKVSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane?
The IUPAC name of trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane (CID 11317725) is trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane.
What is the SMILES notation for trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane?
The canonical SMILES for trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane is CCCC[Sn](/C=C/C[C@@H](C)/C=C(/CC)[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane?
The InChIKey is LWJPWKHDNVMUGG-YNGBPTKVSA-N. The full InChI is InChI=1S/C12H23Si.3C4H9.Sn/c1-7-9-11(3)10-12(8-2)13(4,5)6;3*1-3-4-2;/h1,7,10-11H,8-9H2,2-6H3;3*1,3-4H2,2H3;/b7-1?,12-10-;;;;/t11-;;;;/m1..../s1.
What are the key properties of trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane?
trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane has a molecular weight of 485.46 g/mol, XLogP of 9.17, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3Z,5R,7E)-5-methyl-8-tributylstannylocta-3,7-dien-3-yl]silane is sourced from PubChem (CID 11317725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).