[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane

C40H86O3Si3Sn — CID 131741561

IUPAC[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCC[Sn](/C=C/C(C)=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C28H59O3Si3.3C4H9.Sn/c1-19-22(2)20-24(30-33(15,16)27(7,8)9)25(31-34(17,18)28(10,11)12)21-23(3)29-32(13,14)26(4,5)6;3*1-3-4-2;/h1,19-20,23-25H,21H2,2-18H3;3*1,3-4H2,2H3;/b19-1?,22-20+;;;;/t23-,24-,25-;;;;/m0..../s1
InChIKeyLSBKZWWBVIHOTL-REBGZCHXSA-N
MW818.09 g/mol
LogP14.46
Rot. Bonds21

About [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane

[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 131741561) has the molecular formula C40H86O3Si3Sn and a molecular weight of 818.09 g/mol. Its IUPAC name is [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
PubChem CID131741561
Molecular FormulaC40H86O3Si3Sn
Molecular Weight818.09 g/mol
Exact Mass818.49
IUPAC Name[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
SMILESCCCC[Sn](/C=C/C(C)=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C28H59O3Si3.3C4H9.Sn/c1-19-22(2)20-24(30-33(15,16)27(7,8)9)25(31-34(17,18)28(10,11)12)21-23(3)29-32(13,14)26(4,5)6;3*1-3-4-2;/h1,19-20,23-25H,21H2,2-18H3;3*1,3-4H2,2H3;/b19-1?,22-20+;;;;/t23-,24-,25-;;;;/m0..../s1
InChIKeyLSBKZWWBVIHOTL-REBGZCHXSA-N
XLogP14.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.09
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,3R,4R,5E,7E)-1-[(2S)-butan-2-yl]-2,4,6-trimethyl-8-tributylstannyl-3-trimethylsilyloxyocta-5,7-dienoxy]-tert-butyl-dimethylsilane
CID 11061557
12,13,15-tris[[tert-butyl(dimethyl)silyl]oxy]-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoic acid
CID 72973282
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
CID 10700411
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-tributylstannylbut-3-en-2-one
CID 11488700
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758729
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S,6R)-2,2,5-trimethyl-6-[(E,2S)-5-tributylstannylpent-4-en-2-yl]-1,3-dioxan-4-yl]pentanoic acid
CID 46211632
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
1-butoxypropan-2-yloxy-tert-butyl-dimethylsilane
CID 91697262

Frequently Asked Questions

What is the IUPAC name of [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane (CID 131741561) is [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane is CCCC[Sn](/C=C/C(C)=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is LSBKZWWBVIHOTL-REBGZCHXSA-N. The full InChI is InChI=1S/C28H59O3Si3.3C4H9.Sn/c1-19-22(2)20-24(30-33(15,16)27(7,8)9)25(31-34(17,18)28(10,11)12)21-23(3)29-32(13,14)26(4,5)6;3*1-3-4-2;/h1,19-20,23-25H,21H2,2-18H3;3*1,3-4H2,2H3;/b19-1?,22-20+;;;;/t23-,24-,25-;;;;/m0..../s1.
What are the key properties of [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane?
[(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 818.09 g/mol, XLogP of 14.46, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2E,4E)-1-[(1S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-methyl-5-tributylstannylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 131741561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).