methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate

C24H50O3SiSn — CID 11353111

IUPACmethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](/C=C/[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H23O3Si.3C4H9.Sn/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4;3*1-3-4-2;/h1,8,10H,9H2,2-7H3;3*1,3-4H2,2H3;/t10-;;;;/m1..../s1
InChIKeyFIZCUHMQWAMILL-USOZLSCGSA-N
MW533.46 g/mol
LogP7.88
Rot. Bonds15

About methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate

methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate (PubChem CID 11353111) has the molecular formula C24H50O3SiSn and a molecular weight of 533.46 g/mol. Its IUPAC name is methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate
PubChem CID11353111
Molecular FormulaC24H50O3SiSn
Molecular Weight533.46 g/mol
Exact Mass534.26
IUPAC Namemethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate
SMILESCCCC[Sn](/C=C/[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H23O3Si.3C4H9.Sn/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4;3*1-3-4-2;/h1,8,10H,9H2,2-7H3;3*1,3-4H2,2H3;/t10-;;;;/m1..../s1
InChIKeyFIZCUHMQWAMILL-USOZLSCGSA-N
XLogP7.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.46
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
(S)-3-((tert-Butyldimethylsilyl)oxy)pent-4-enoic acid
CID 24938600
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
3-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 44614149
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56954181
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 56964829

Frequently Asked Questions

What is the IUPAC name of methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate?
The IUPAC name of methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate (CID 11353111) is methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate.
What is the SMILES notation for methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate?
The canonical SMILES for methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate is CCCC[Sn](/C=C/[C@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate?
The InChIKey is FIZCUHMQWAMILL-USOZLSCGSA-N. The full InChI is InChI=1S/C12H23O3Si.3C4H9.Sn/c1-8-10(9-11(13)14-5)15-16(6,7)12(2,3)4;3*1-3-4-2;/h1,8,10H,9H2,2-7H3;3*1,3-4H2,2H3;/t10-;;;;/m1..../s1.
What are the key properties of methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate?
methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate has a molecular weight of 533.46 g/mol, XLogP of 7.88, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate is sourced from PubChem (CID 11353111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).