tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane

C16H34OSi2 — CID 154722507

IUPACtert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane
SMILESC[C@@H](C#C[Si](C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi2/c1-14(11-12-18(6,7)8)15(2)13-17-19(9,10)16(3,4)5/h14-15H,13H2,1-10H3/t14-,15-/m0/s1
InChIKeyLTDHBFMTVKOKQS-GJZGRUSLSA-N
MW298.62 g/mol
LogP5.16
Rot. Bonds4

About tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane

tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane (PubChem CID 154722507) has the molecular formula C16H34OSi2 and a molecular weight of 298.62 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane
PubChem CID154722507
Molecular FormulaC16H34OSi2
Molecular Weight298.62 g/mol
Exact Mass298.21
IUPAC Nametert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane
SMILESC[C@@H](C#C[Si](C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi2/c1-14(11-12-18(6,7)8)15(2)13-17-19(9,10)16(3,4)5/h14-15H,13H2,1-10H3/t14-,15-/m0/s1
InChIKeyLTDHBFMTVKOKQS-GJZGRUSLSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.62
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
Silane, (1,1-dimethylethyl)dimethyl[[5-(tributylstannyl)-4-pentynyl]oxy]-
CID 10719758
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
Tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynoxy]silane
CID 10884155
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethynylpent-4-ynoxy]-dimethylsilane
CID 11014028
tert-butyl-dimethyl-[(2S)-2-methylpent-4-ynoxy]silane
CID 11052983
tert-butyl-[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-1-ynylhept-4-ynoxy]-dimethylsilane
CID 15038027
2,3-Dimethylbutan-2-yl-dimethyl-(3-trimethylsilylprop-2-ynoxy)silane
CID 15121704
tert-butyl-dimethyl-[(3S)-3-methyl-5-trimethylsilylpent-4-ynoxy]silane
CID 16050210
Tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane
CID 134830905
tert-butyl-dimethyl-[(2S)-2-methyl-4-tri(propan-2-yl)silyloxybut-3-ynoxy]silane
CID 134873799

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane (CID 154722507) is tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane is C[C@@H](C#C[Si](C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane?
The InChIKey is LTDHBFMTVKOKQS-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H34OSi2/c1-14(11-12-18(6,7)8)15(2)13-17-19(9,10)16(3,4)5/h14-15H,13H2,1-10H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane has a molecular weight of 298.62 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-2,3-dimethyl-5-trimethylsilylpent-4-ynoxy]-dimethylsilane is sourced from PubChem (CID 154722507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).