[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate

C30H62O3SiSn — CID 10875838

IUPAC[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
SMILESC=C(C[C@H](CCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H35O3Si.3C4H9.Sn/c1-14(2)13-15(21-22(9,10)18(6,7)8)11-12-20-16(19)17(3,4)5;3*1-3-4-2;/h15H,1-2,11-13H2,3-10H3;3*1,3-4H2,2H3;/t15-;;;;/m0..../s1
InChIKeyUAAVPQCQCKULAU-FWELSTJRSA-N
MW617.62 g/mol
LogP10.15
Rot. Bonds18

About [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate

[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 10875838) has the molecular formula C30H62O3SiSn and a molecular weight of 617.62 g/mol. Its IUPAC name is [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
PubChem CID10875838
Molecular FormulaC30H62O3SiSn
Molecular Weight617.62 g/mol
Exact Mass618.35
IUPAC Name[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
SMILESC=C(C[C@H](CCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H35O3Si.3C4H9.Sn/c1-14(2)13-15(21-22(9,10)18(6,7)8)11-12-20-16(19)17(3,4)5;3*1-3-4-2;/h15H,1-2,11-13H2,3-10H3;3*1,3-4H2,2H3;/t15-;;;;/m0..../s1
InChIKeyUAAVPQCQCKULAU-FWELSTJRSA-N
XLogP10.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.62
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate 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 [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate (CID 10875838) is [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate is C=C(C[C@H](CCOC(=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is UAAVPQCQCKULAU-FWELSTJRSA-N. The full InChI is InChI=1S/C18H35O3Si.3C4H9.Sn/c1-14(2)13-15(21-22(9,10)18(6,7)8)11-12-20-16(19)17(3,4)5;3*1-3-4-2;/h15H,1-2,11-13H2,3-10H3;3*1,3-4H2,2H3;/t15-;;;;/m0..../s1.
What are the key properties of [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 617.62 g/mol, XLogP of 10.15, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).