tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane

C17H34O2Si — CID 134960946

IUPACtert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane
SMILESC=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)OCC=C(C)C
InChIInChI=1S/C17H34O2Si/c1-11-17(8,15(4)18-13-12-14(2)3)19-20(9,10)16(5,6)7/h11-12,15H,1,13H2,2-10H3/t15-,17-/m0/s1
InChIKeyRKNADTFXGHHRPJ-RDJZCZTQSA-N
MW298.54 g/mol
LogP5.32
Rot. Bonds7

About tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane (PubChem CID 134960946) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane
PubChem CID134960946
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane
SMILESC=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)OCC=C(C)C
InChIInChI=1S/C17H34O2Si/c1-11-17(8,15(4)18-13-12-14(2)3)19-20(9,10)16(5,6)7/h11-12,15H,1,13H2,2-10H3/t15-,17-/m0/s1
InChIKeyRKNADTFXGHHRPJ-RDJZCZTQSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.32
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-dimethyl-[3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxy]silane
CID 10708071
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
tert-butyl-[[(2S,5S)-5-tert-butyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 11161923
tert-butyl-dimethyl-[(2S,3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-yl]oxysilane
CID 11551386
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
CID 102183142
tri(propan-2-yl)-[(2,3,5-trimethyl-2H-furan-5-yl)methoxy]silane
CID 134928352
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744
tert-butyl-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 57586778
tert-butyl-[[(6Z,8R,9S,10S,11E)-10-methoxy-6,8-dimethyl-1,4-dioxacyclotetradeca-6,11-dien-9-yl]oxy]-dimethylsilane
CID 71236145
tert-butyl-[(3S,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 88399267

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane (CID 134960946) is tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane is C=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)OCC=C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane?
The InChIKey is RKNADTFXGHHRPJ-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-11-17(8,15(4)18-13-12-14(2)3)19-20(9,10)16(5,6)7/h11-12,15H,1,13H2,2-10H3/t15-,17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane has a molecular weight of 298.54 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4S)-3-methyl-4-(3-methylbut-2-enoxy)pent-1-en-3-yl]oxysilane is sourced from PubChem (CID 134960946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).