tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane

C24H47ClOSi2 — CID 101238371

IUPACtributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane
SMILESC=C(Cl)/C=C/[C@H](CC(=C)C[Si](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C24H47ClOSi2/c1-9-12-17-28(18-13-10-2,19-14-11-3)21-22(4)20-24(16-15-23(5)25)26-27(6,7)8/h15-16,24H,4-5,9-14,17-21H2,1-3,6-8H3/b16-15+/t24-/m1/s1
InChIKeyBBQBWEKVZOJKTI-RFAWQRTRSA-N
MW443.26 g/mol
LogP9.31
Rot. Bonds17

About tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane

tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane (PubChem CID 101238371) has the molecular formula C24H47ClOSi2 and a molecular weight of 443.26 g/mol. Its IUPAC name is tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane.

Molecular Properties

Compound Nametributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane
PubChem CID101238371
Molecular FormulaC24H47ClOSi2
Molecular Weight443.26 g/mol
Exact Mass442.29
IUPAC Nametributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane
SMILESC=C(Cl)/C=C/[C@H](CC(=C)C[Si](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C24H47ClOSi2/c1-9-12-17-28(18-13-10-2,19-14-11-3)21-22(4)20-24(16-15-23(5)25)26-27(6,7)8/h15-16,24H,4-5,9-14,17-21H2,1-3,6-8H3/b16-15+/t24-/m1/s1
InChIKeyBBQBWEKVZOJKTI-RFAWQRTRSA-N
XLogP9.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.26
LogP ≤ 59.31
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 tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane?
The IUPAC name of tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane (CID 101238371) is tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane.
What is the SMILES notation for tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane?
The canonical SMILES for tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane is C=C(Cl)/C=C/[C@H](CC(=C)C[Si](CCCC)(CCCC)CCCC)O[Si](C)(C)C.
What is the InChIKey of tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane?
The InChIKey is BBQBWEKVZOJKTI-RFAWQRTRSA-N. The full InChI is InChI=1S/C24H47ClOSi2/c1-9-12-17-28(18-13-10-2,19-14-11-3)21-22(4)20-24(16-15-23(5)25)26-27(6,7)8/h15-16,24H,4-5,9-14,17-21H2,1-3,6-8H3/b16-15+/t24-/m1/s1.
What are the key properties of tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane?
tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane has a molecular weight of 443.26 g/mol, XLogP of 9.31, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(4S,5E)-7-chloro-2-methylidene-4-trimethylsilyloxyocta-5,7-dienyl]silane is sourced from PubChem (CID 101238371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).