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

C30H62O3SiSn — CID 15442530

IUPAC[(3S)-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-;;;;/m1..../s1
InChIKeyUAAVPQCQCKULAU-FKOXPEIHSA-N
MW617.62 g/mol
LogP10.15
Rot. Bonds18

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

[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 15442530) has the molecular formula C30H62O3SiSn and a molecular weight of 617.62 g/mol. Its IUPAC name is [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
PubChem CID15442530
Molecular FormulaC30H62O3SiSn
Molecular Weight617.62 g/mol
Exact Mass618.35
IUPAC Name[(3S)-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-;;;;/m1..../s1
InChIKeyUAAVPQCQCKULAU-FKOXPEIHSA-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 [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

(6R)-6-(Tert-butyldimethylsilyloxy)-8-pivaloyloxy-2-methyloct-2-ene
CID 101618229
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
Propan-2-yl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-enoate
CID 141701184
[4-[Tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 173579927
[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate
CID 10875838
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 11224448
[(3R)-5-(trimethylsilylmethyl)-3-trimethylsilyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11233669
1-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl butanoate
CID 46201682
[(3R)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl] butanoate
CID 46201683
[(2R,3R)-2,5-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] acetate
CID 71489918
[(4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enyl] 2,2-dimethylpropanoate
CID 71504119
2-[Bis(trimethylsilyl)methyl]hept-1-en-4-yl 2,2-dimethylpropanoate
CID 102220130

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate (CID 15442530) is [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3S)-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 [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is UAAVPQCQCKULAU-FKOXPEIHSA-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-;;;;/m1..../s1.
What are the key properties of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate?
[(3S)-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 [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(tributylstannylmethyl)hex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 15442530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).