tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane

C31H66O3SiSn — CID 11082739

IUPACtert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane
SMILESCCCC[C@@H](CCC/C=C/[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39O3Si.3C4H9.Sn/c1-8-9-14-18(22-23(6,7)19(2,3)4)15-12-10-11-13-16-21-17-20-5;3*1-3-4-2;/h11,13,16,18H,8-10,12,14-15,17H2,1-7H3;3*1,3-4H2,2H3;/b13-11+;;;;/t18-;;;;/m0..../s1
InChIKeyQUGVUDPGVSCPHX-GZJRMLIHSA-N
MW633.66 g/mol
LogP10.67
Rot. Bonds23

About tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane

tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane (PubChem CID 11082739) has the molecular formula C31H66O3SiSn and a molecular weight of 633.66 g/mol. Its IUPAC name is tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane
PubChem CID11082739
Molecular FormulaC31H66O3SiSn
Molecular Weight633.66 g/mol
Exact Mass634.38
IUPAC Nametert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane
SMILESCCCC[C@@H](CCC/C=C/[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39O3Si.3C4H9.Sn/c1-8-9-14-18(22-23(6,7)19(2,3)4)15-12-10-11-13-16-21-17-20-5;3*1-3-4-2;/h11,13,16,18H,8-10,12,14-15,17H2,1-7H3;3*1,3-4H2,2H3;/b13-11+;;;;/t18-;;;;/m0..../s1
InChIKeyQUGVUDPGVSCPHX-GZJRMLIHSA-N
XLogP10.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.66
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane (CID 11082739) is tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane is CCCC[C@@H](CCC/C=C/[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane?
The InChIKey is QUGVUDPGVSCPHX-GZJRMLIHSA-N. The full InChI is InChI=1S/C19H39O3Si.3C4H9.Sn/c1-8-9-14-18(22-23(6,7)19(2,3)4)15-12-10-11-13-16-21-17-20-5;3*1-3-4-2;/h11,13,16,18H,8-10,12,14-15,17H2,1-7H3;3*1,3-4H2,2H3;/b13-11+;;;;/t18-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane?
tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane has a molecular weight of 633.66 g/mol, XLogP of 10.67, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,5S,11R)-11-(methoxymethoxy)-11-tributylstannylundec-9-en-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 11082739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).