3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane

C29H64O4Si3 — CID 142657998

IUPAC3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H64O4Si3/c1-18-21-25(33-36(16,17)29(9,10)11)26(24(19-2)32-35(14,15)28(6,7)8)30-22-20-23-31-34(12,13)27(3,4)5/h19,24-26H,2,18,20-23H2,1,3-17H3/t24-,25-,26-/m1/s1
InChIKeyDBAHPFVFKTUEBD-TWJOJJKGSA-N
MW561.09 g/mol
LogP9.55
Rot. Bonds15

About 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane

3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane (PubChem CID 142657998) has the molecular formula C29H64O4Si3 and a molecular weight of 561.09 g/mol. Its IUPAC name is 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane
PubChem CID142657998
Molecular FormulaC29H64O4Si3
Molecular Weight561.09 g/mol
Exact Mass560.41
IUPAC Name3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H64O4Si3/c1-18-21-25(33-36(16,17)29(9,10)11)26(24(19-2)32-35(14,15)28(6,7)8)30-22-20-23-31-34(12,13)27(3,4)5/h19,24-26H,2,18,20-23H2,1,3-17H3/t24-,25-,26-/m1/s1
InChIKeyDBAHPFVFKTUEBD-TWJOJJKGSA-N
XLogP9.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.09
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101106917
tert-butyl-dimethyl-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
Tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylheptoxy]-dimethylsilane
CID 101937867
tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 134996026
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxynon-8-en-4-yl]oxy-dimethylsilane
CID 135014391
[(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135022446
[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 162414638
(5R,6R)-6-((R)-1-((tert-Butyldimethylsilyl)oxy)allyl)-2,2,3,3,12,12,13,13-octamethyl-5-(prop-2-yn-1-yl)-4,7,11-trioxa-3,12-disilatetradecane
CID 11038979

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane (CID 142657998) is 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane?
The InChIKey is DBAHPFVFKTUEBD-TWJOJJKGSA-N. The full InChI is InChI=1S/C29H64O4Si3/c1-18-21-25(33-36(16,17)29(9,10)11)26(24(19-2)32-35(14,15)28(6,7)8)30-22-20-23-31-34(12,13)27(3,4)5/h19,24-26H,2,18,20-23H2,1,3-17H3/t24-,25-,26-/m1/s1.
What are the key properties of 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane?
3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane has a molecular weight of 561.09 g/mol, XLogP of 9.55, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 142657998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).