tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane

C25H47BO3Si — CID 138970959

IUPACtert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C(C)=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H47BO3Si/c1-14-22(27-30(12,13)23(5,6)7)21(4)18-20(3)19(2)16-15-17-26-28-24(8,9)25(10,11)29-26/h15-18,21-22H,14H2,1-13H3/b17-15+,19-16+,20-18+/t21-,22+/m1/s1
InChIKeyRSVPVJLHTXCKKJ-KFEYBMLASA-N
MW434.55 g/mol
LogP7.50
Rot. Bonds8

About tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane (PubChem CID 138970959) has the molecular formula C25H47BO3Si and a molecular weight of 434.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane
PubChem CID138970959
Molecular FormulaC25H47BO3Si
Molecular Weight434.55 g/mol
Exact Mass434.34
IUPAC Nametert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C(C)=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C25H47BO3Si/c1-14-22(27-30(12,13)23(5,6)7)21(4)18-20(3)19(2)16-15-17-26-28-24(8,9)25(10,11)29-26/h15-18,21-22H,14H2,1-13H3/b17-15+,19-16+,20-18+/t21-,22+/m1/s1
InChIKeyRSVPVJLHTXCKKJ-KFEYBMLASA-N
XLogP7.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 57.50
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

tert-butyl-dimethyl-[(1E,3R,4R,5E)-3,5,8-trimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nona-1,5-dien-4-yl]oxysilane
CID 60153233
dimethyl-propan-2-yloxy-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 101555549
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-3,5-dienoxy]silane
CID 102031024
tert-butyl-dimethyl-[(3E)-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
CID 102396880
tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane
CID 134878857
tert-butyl-[(E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)non-5-enoxy]-dimethylsilane
CID 134878858
tert-butyl-[(E,2S,3R)-2,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-4-enoxy]-dimethylsilane
CID 154719608
dimethyl-propan-2-yloxy-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]silane
CID 154720743
Tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;yttrium
CID 57786659
Tert-butyl-dimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-2-en-1-yl]methoxy]silane
CID 169239811
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-yl]oxysilane
CID 174030523
tert-butyl-[(Z,2R,3R)-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-enoxy]-dimethylsilane
CID 10883118

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane (CID 138970959) is tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C(C)=C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane?
The InChIKey is RSVPVJLHTXCKKJ-KFEYBMLASA-N. The full InChI is InChI=1S/C25H47BO3Si/c1-14-22(27-30(12,13)23(5,6)7)21(4)18-20(3)19(2)16-15-17-26-28-24(8,9)25(10,11)29-26/h15-18,21-22H,14H2,1-13H3/b17-15+,19-16+,20-18+/t21-,22+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane has a molecular weight of 434.55 g/mol, XLogP of 7.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R,5E,7E,9E)-4,6,7-trimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)deca-5,7,9-trien-3-yl]oxysilane is sourced from PubChem (CID 138970959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).