tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane

C20H40OSi2 — CID 134836408

IUPACtert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
SMILESCC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)[Si](C)(C)C
InChIInChI=1S/C20H40OSi2/c1-13-14-16(2)19(21-23(11,12)20(5,6)7)17(3)15-18(4)22(8,9)10/h15-17,19H,1-12H3/b18-15-/t16-,17-,19-/m0/s1
InChIKeyPKGSWFPWKJVZFB-ZRPAETACSA-N
MW352.71 g/mol
LogP6.50
Rot. Bonds6

About tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane

tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane (PubChem CID 134836408) has the molecular formula C20H40OSi2 and a molecular weight of 352.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
PubChem CID134836408
Molecular FormulaC20H40OSi2
Molecular Weight352.71 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
SMILESCC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)[Si](C)(C)C
InChIInChI=1S/C20H40OSi2/c1-13-14-16(2)19(21-23(11,12)20(5,6)7)17(3)15-18(4)22(8,9)10/h15-17,19H,1-12H3/b18-15-/t16-,17-,19-/m0/s1
InChIKeyPKGSWFPWKJVZFB-ZRPAETACSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.71
LogP ≤ 56.50
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

tert-butyl-dimethyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 18396825
tert-butyl-[(3R,4S,5Z)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148323
tert-butyl-[(3R,4S,5E)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148324
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
CID 14918716
triethyl-[(1Z,3S,4S)-1-ethylidene-2,2,4-trimethyl-3-triethylsilyloxyhept-5-ynoxy]silane
CID 15605929
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838
tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
CID 56590590
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclopent-3-en-1-yl]oxysilane
CID 56850984
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]oxysilane
CID 101546873
(e)-t-Butyl(dimethyl)(tetradec-3-ene-8,11-diyn-1-yloxy)silane
CID 132280318
tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane
CID 134896222
tert-butyl-[(E,2S)-5-[(1S)-cyclohex-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 134952093

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane (CID 134836408) is tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane is CC#C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane?
The InChIKey is PKGSWFPWKJVZFB-ZRPAETACSA-N. The full InChI is InChI=1S/C20H40OSi2/c1-13-14-16(2)19(21-23(11,12)20(5,6)7)17(3)15-18(4)22(8,9)10/h15-17,19H,1-12H3/b18-15-/t16-,17-,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane?
tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane has a molecular weight of 352.71 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane is sourced from PubChem (CID 134836408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).