tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane

C17H34OSi — CID 134896222

IUPACtert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(C)C
InChIInChI=1S/C17H34OSi/c1-13(2)11-12-15(5)16(14(3)4)18-19(9,10)17(6,7)8/h11-13,15-16H,3H2,1-2,4-10H3/b12-11+/t15-,16-/m0/s1
InChIKeyCAVLFKPGWUEOGU-WFPWZJHXSA-N
MW282.54 g/mol
LogP5.80
Rot. Bonds6

About tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane

tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane (PubChem CID 134896222) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane
PubChem CID134896222
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(C)C
InChIInChI=1S/C17H34OSi/c1-13(2)11-12-15(5)16(14(3)4)18-19(9,10)17(6,7)8/h11-13,15-16H,3H2,1-2,4-10H3/b12-11+/t15-,16-/m0/s1
InChIKeyCAVLFKPGWUEOGU-WFPWZJHXSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane with MolForge

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Related Compounds

[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Tributylsilyloxyoct-3-ene
CID 5353200
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
tert-butyl-[(1R,4S)-4-ethenyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11358411
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane
CID 11534697
[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 11771207
tert-butyl-[(3R,4S,5Z)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148323

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane (CID 134896222) is tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane is C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane?
The InChIKey is CAVLFKPGWUEOGU-WFPWZJHXSA-N. The full InChI is InChI=1S/C17H34OSi/c1-13(2)11-12-15(5)16(14(3)4)18-19(9,10)17(6,7)8/h11-13,15-16H,3H2,1-2,4-10H3/b12-11+/t15-,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane has a molecular weight of 282.54 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane is sourced from PubChem (CID 134896222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).