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

C23H48O2SiSn — CID 11397969

IUPAC(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal
SMILESCCCC[Sn](/C=C/[C@H](CC=O)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C11H21O2Si.3C4H9.Sn/c1-7-10(8-9-12)13-14(5,6)11(2,3)4;3*1-3-4-2;/h1,7,9-10H,8H2,2-6H3;3*1,3-4H2,2H3;/t10-;;;;/m1..../s1
InChIKeySJWVMPYCDFJZOZ-USOZLSCGSA-N
MW503.43 g/mol
LogP7.91
Rot. Bonds15

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

(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal (PubChem CID 11397969) has the molecular formula C23H48O2SiSn and a molecular weight of 503.43 g/mol. Its IUPAC name is (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal.

Molecular Properties

Compound Name(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal
PubChem CID11397969
Molecular FormulaC23H48O2SiSn
Molecular Weight503.43 g/mol
Exact Mass504.24
IUPAC Name(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal
SMILESCCCC[Sn](/C=C/[C@H](CC=O)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C11H21O2Si.3C4H9.Sn/c1-7-10(8-9-12)13-14(5,6)11(2,3)4;3*1-3-4-2;/h1,7,9-10H,8H2,2-6H3;3*1,3-4H2,2H3;/t10-;;;;/m1..../s1
InChIKeySJWVMPYCDFJZOZ-USOZLSCGSA-N
XLogP7.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal?
The IUPAC name of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal (CID 11397969) is (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal.
What is the SMILES notation for (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal?
The canonical SMILES for (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal is CCCC[Sn](/C=C/[C@H](CC=O)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal?
The InChIKey is SJWVMPYCDFJZOZ-USOZLSCGSA-N. The full InChI is InChI=1S/C11H21O2Si.3C4H9.Sn/c1-7-10(8-9-12)13-14(5,6)11(2,3)4;3*1-3-4-2;/h1,7,9-10H,8H2,2-6H3;3*1,3-4H2,2H3;/t10-;;;;/m1..../s1.
What are the key properties of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal?
(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal has a molecular weight of 503.43 g/mol, XLogP of 7.91, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enal is sourced from PubChem (CID 11397969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).