tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane

C21H34O2Si — CID 102243203

IUPACtert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane
SMILESC#CCC[C@@H](OCc1ccccc1)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H34O2Si/c1-8-10-16-20(22-17-18-14-12-11-13-15-18)19(9-2)23-24(6,7)21(3,4)5/h1,11-15,19-20H,9-10,16-17H2,2-7H3/t19-,20+/m0/s1
InChIKeyZCTHMBLNQKYUAS-VQTJNVASSA-N
MW346.59 g/mol
LogP5.79
Rot. Bonds9

About tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane (PubChem CID 102243203) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane
PubChem CID102243203
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Nametert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane
SMILESC#CCC[C@@H](OCc1ccccc1)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H34O2Si/c1-8-10-16-20(22-17-18-14-12-11-13-15-18)19(9-2)23-24(6,7)21(3,4)5/h1,11-15,19-20H,9-10,16-17H2,2-7H3/t19-,20+/m0/s1
InChIKeyZCTHMBLNQKYUAS-VQTJNVASSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane
CID 25228674
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoct-1-en-3-ol
CID 46910423
(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]hex-5-ynoic acid
CID 140540638
[(1S,3R)-1-[(1S)-1-azidoethyl]-3-phenylmethoxyhept-6-ynoxy]methylbenzene
CID 42636691
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
[(4S,5S)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoct-7-enoxy]-tert-butyl-diphenylsilane
CID 71492902
[(1R,2R,3S)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-tert-butyl-dimethylsilane
CID 139993023

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane (CID 102243203) is tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane is C#CCC[C@@H](OCc1ccccc1)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane?
The InChIKey is ZCTHMBLNQKYUAS-VQTJNVASSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-8-10-16-20(22-17-18-14-12-11-13-15-18)19(9-2)23-24(6,7)21(3,4)5/h1,11-15,19-20H,9-10,16-17H2,2-7H3/t19-,20+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane has a molecular weight of 346.59 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane is sourced from PubChem (CID 102243203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).