(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol

C34H74O3Si2Sn — CID 11468178

IUPAC(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
SMILESCCCC[Sn](/C=C/[C@H](C[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C22H47O3Si2.3C4H9.Sn/c1-13-20(25-27(17(2)3,18(4)5)19(6)7)16-21(14-15-23)24-26(11,12)22(8,9)10;3*1-3-4-2;/h1,13,17-21,23H,14-16H2,2-12H3;3*1,3-4H2,2H3;/t20-,21+;;;;/m1..../s1
InChIKeyCHNFACUFQCUFJV-WURRAPDFSA-N
MW705.85 g/mol
LogP11.65
Rot. Bonds22

About (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol

(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol (PubChem CID 11468178) has the molecular formula C34H74O3Si2Sn and a molecular weight of 705.85 g/mol. Its IUPAC name is (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol.

Molecular Properties

Compound Name(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
PubChem CID11468178
Molecular FormulaC34H74O3Si2Sn
Molecular Weight705.85 g/mol
Exact Mass706.42
IUPAC Name(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
SMILESCCCC[Sn](/C=C/[C@H](C[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC
InChIInChI=1S/C22H47O3Si2.3C4H9.Sn/c1-13-20(25-27(17(2)3,18(4)5)19(6)7)16-21(14-15-23)24-26(11,12)22(8,9)10;3*1-3-4-2;/h1,13,17-21,23H,14-16H2,2-12H3;3*1,3-4H2,2H3;/t20-,21+;;;;/m1..../s1
InChIKeyCHNFACUFQCUFJV-WURRAPDFSA-N
XLogP11.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.85
LogP ≤ 511.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(1E,3S,4R,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-bis(tributylstannyl)hexa-1,5-dien-3-ol
CID 177475405
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannylhept-6-enoate
CID 57407910
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630
(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol
CID 102059206
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
CID 10700411
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
tert-butyl-[(E,3S)-4,4-difluoro-1-tributylstannyloct-1-en-3-yl]oxy-dimethylsilane
CID 87758729
[(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
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
(Z)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylstannylbut-3-en-1-ol
CID 59052911

Frequently Asked Questions

What is the IUPAC name of (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The IUPAC name of (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol (CID 11468178) is (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol.
What is the SMILES notation for (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The canonical SMILES for (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol is CCCC[Sn](/C=C/[C@H](C[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)(CCCC)CCCC.
What is the InChIKey of (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
The InChIKey is CHNFACUFQCUFJV-WURRAPDFSA-N. The full InChI is InChI=1S/C22H47O3Si2.3C4H9.Sn/c1-13-20(25-27(17(2)3,18(4)5)19(6)7)16-21(14-15-23)24-26(11,12)22(8,9)10;3*1-3-4-2;/h1,13,17-21,23H,14-16H2,2-12H3;3*1,3-4H2,2H3;/t20-,21+;;;;/m1..../s1.
What are the key properties of (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol?
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol has a molecular weight of 705.85 g/mol, XLogP of 11.65, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol is sourced from PubChem (CID 11468178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).