tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane

C34H66OSiSn — CID 11534697

IUPACtert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C22H39OSi.3C4H9.Sn/c1-12-19(5)21(23-24(10,11)22(7,8)9)20(6)16-18(4)15-13-14-17(2)3;3*1-3-4-2;/h2,12-13,15-16,20-21H,14H2,1,3-11H3;3*1,3-4H2,2H3;/b15-13+,17-2?,18-16+,19-12+;;;;/t20-,21+;;;;/m1..../s1
InChIKeyQAQHXMKKGQFVTR-GFSJKVPYSA-N
MW637.70 g/mol
LogP12.21
Rot. Bonds18

About tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane

tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane (PubChem CID 11534697) has the molecular formula C34H66OSiSn and a molecular weight of 637.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane
PubChem CID11534697
Molecular FormulaC34H66OSiSn
Molecular Weight637.70 g/mol
Exact Mass638.39
IUPAC Nametert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C22H39OSi.3C4H9.Sn/c1-12-19(5)21(23-24(10,11)22(7,8)9)20(6)16-18(4)15-13-14-17(2)3;3*1-3-4-2;/h2,12-13,15-16,20-21H,14H2,1,3-11H3;3*1,3-4H2,2H3;/b15-13+,17-2?,18-16+,19-12+;;;;/t20-,21+;;;;/m1..../s1
InChIKeyQAQHXMKKGQFVTR-GFSJKVPYSA-N
XLogP12.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.70
LogP ≤ 512.21
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'}

Analyze tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane (CID 11534697) is tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane?
The InChIKey is QAQHXMKKGQFVTR-GFSJKVPYSA-N. The full InChI is InChI=1S/C22H39OSi.3C4H9.Sn/c1-12-19(5)21(23-24(10,11)22(7,8)9)20(6)16-18(4)15-13-14-17(2)3;3*1-3-4-2;/h2,12-13,15-16,20-21H,14H2,1,3-11H3;3*1,3-4H2,2H3;/b15-13+,17-2?,18-16+,19-12+;;;;/t20-,21+;;;;/m1..../s1.
What are the key properties of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane?
tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane has a molecular weight of 637.70 g/mol, XLogP of 12.21, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane is sourced from PubChem (CID 11534697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).