tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane

C17H38O2Si2 — CID 134839850

IUPACtert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si2/c1-12-15(19-21(10,11)17(5,6)7)13-14-18-20(8,9)16(2,3)4/h12,15H,1,13-14H2,2-11H3/t15-/m0/s1
InChIKeyWKCIGFPFLQEOMV-HNNXBMFYSA-N
MW330.66 g/mol
LogP5.97
Rot. Bonds7

About tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane

tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane (PubChem CID 134839850) has the molecular formula C17H38O2Si2 and a molecular weight of 330.66 g/mol. Its IUPAC name is tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
PubChem CID134839850
Molecular FormulaC17H38O2Si2
Molecular Weight330.66 g/mol
Exact Mass330.24
IUPAC Nametert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si2/c1-12-15(19-21(10,11)17(5,6)7)13-14-18-20(8,9)16(2,3)4/h12,15H,1,13-14H2,2-11H3/t15-/m0/s1
InChIKeyWKCIGFPFLQEOMV-HNNXBMFYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.66
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
1,4-Anhydro-2-deoxy-3,5-bis-O-(t-butyldimethylsilyl)-D-erythro-pent-1-enitol
CID 11824133
Silane, (1,1-dimethylethyl)(1-ethenylbutoxy)dimethyl-
CID 11206678
(S)-1,3-Di-[(tert-butyldimethylsilyloxy)]-4-methyl-4-pentene
CID 11336893
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-dimethyl-[(E)-4-tributylstannylbut-3-en-2-yl]oxysilane
CID 92042320
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 135034833
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
tert-butyl-dimethyl-[(E)-5-triethylsilylpent-4-enoxy]silane
CID 12996060
tert-butyl-dimethyl-[(E,2R)-4-trimethylsilyloxybut-3-en-2-yl]oxysilane
CID 13654680
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane (CID 134839850) is tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane is C=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane?
The InChIKey is WKCIGFPFLQEOMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H38O2Si2/c1-12-15(19-21(10,11)17(5,6)7)13-14-18-20(8,9)16(2,3)4/h12,15H,1,13-14H2,2-11H3/t15-/m0/s1.
What are the key properties of tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane?
tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane has a molecular weight of 330.66 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 134839850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).