tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane

C29H54OSiSn — CID 177480372

IUPACtert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\c1ccccc1)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H27OSi.3C4H9.Sn/c1-17(2,3)19(4,5)18-15-11-7-10-14-16-12-8-6-9-13-16;3*1-3-4-2;/h6,8-9,12-14H,7,11,15H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyRBQJCMHZZWOTLF-UHFFFAOYSA-N
MW565.55 g/mol
LogP10.26
Rot. Bonds16

About tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane

tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane (PubChem CID 177480372) has the molecular formula C29H54OSiSn and a molecular weight of 565.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
PubChem CID177480372
Molecular FormulaC29H54OSiSn
Molecular Weight565.55 g/mol
Exact Mass566.30
IUPAC Nametert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\c1ccccc1)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H27OSi.3C4H9.Sn/c1-17(2,3)19(4,5)18-15-11-7-10-14-16-12-8-6-9-13-16;3*1-3-4-2;/h6,8-9,12-14H,7,11,15H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyRBQJCMHZZWOTLF-UHFFFAOYSA-N
XLogP10.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.55
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane (CID 177480372) is tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane is CCCC[Sn](CCCC)(CCCC)/C(=C\c1ccccc1)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane?
The InChIKey is RBQJCMHZZWOTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27OSi.3C4H9.Sn/c1-17(2,3)19(4,5)18-15-11-7-10-14-16-12-8-6-9-13-16;3*1-3-4-2;/h6,8-9,12-14H,7,11,15H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane?
tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane has a molecular weight of 565.55 g/mol, XLogP of 10.26, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane is sourced from PubChem (CID 177480372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).