trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane

C28H62O3Si4 — CID 10530881

IUPACtrimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H62O3Si4/c1-26(2,3)33(13,14)29-22-19-20-24(30-34(15,16)27(4,5)6)25(21-23-32(10,11)12)31-35(17,18)28(7,8)9/h24-25H,19-20,22H2,1-18H3/t24-,25+/m0/s1
InChIKeyXVVAHHBOJCIXFP-LOSJGSFVSA-N
MW559.15 g/mol
LogP9.45
Rot. Bonds10

About trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane

trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane (PubChem CID 10530881) has the molecular formula C28H62O3Si4 and a molecular weight of 559.15 g/mol. Its IUPAC name is trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
PubChem CID10530881
Molecular FormulaC28H62O3Si4
Molecular Weight559.15 g/mol
Exact Mass558.38
IUPAC Nametrimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
SMILESCC(C)(C)[Si](C)(C)OCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H62O3Si4/c1-26(2,3)33(13,14)29-22-19-20-24(30-34(15,16)27(4,5)6)25(21-23-32(10,11)12)31-35(17,18)28(7,8)9/h24-25H,19-20,22H2,1-18H3/t24-,25+/m0/s1
InChIKeyXVVAHHBOJCIXFP-LOSJGSFVSA-N
XLogP9.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.15
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
CID 11628015
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
CID 71427896
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-1-ol
CID 10595476
11-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethynyl)undecanoic acid
CID 123979390
[(1R,2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-2-tributylstannylethenyl]pentoxy]-tert-butyl-dimethylsilane
CID 10700411
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
[(3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-chlorododec-11-en-1-ynyl]-trimethylsilane
CID 146169806

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane?
The IUPAC name of trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane (CID 10530881) is trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane?
The canonical SMILES for trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane is CC(C)(C)[Si](C)(C)OCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane?
The InChIKey is XVVAHHBOJCIXFP-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H62O3Si4/c1-26(2,3)33(13,14)29-22-19-20-24(30-34(15,16)27(4,5)6)25(21-23-32(10,11)12)31-35(17,18)28(7,8)9/h24-25H,19-20,22H2,1-18H3/t24-,25+/m0/s1.
What are the key properties of trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane?
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane has a molecular weight of 559.15 g/mol, XLogP of 9.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane is sourced from PubChem (CID 10530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).