tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane

C19H36OSi — CID 138984190

IUPACtert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane
SMILESC=CC/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C
InChIInChI=1S/C19H36OSi/c1-11-13-15(3)14-17(5)18(16(4)12-2)20-21(9,10)19(6,7)8/h11-12,14,17-18H,1,13H2,2-10H3/b15-14+,16-12+/t17-,18+/m1/s1
InChIKeyFMUHZMFWGMHNTR-NLXKKPLHSA-N
MW308.58 g/mol
LogP6.50
Rot. Bonds7

About tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane

tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane (PubChem CID 138984190) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane
PubChem CID138984190
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane
SMILESC=CC/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C
InChIInChI=1S/C19H36OSi/c1-11-13-15(3)14-17(5)18(16(4)12-2)20-21(9,10)19(6,7)8/h11-12,14,17-18H,1,13H2,2-10H3/b15-14+,16-12+/t17-,18+/m1/s1
InChIKeyFMUHZMFWGMHNTR-NLXKKPLHSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
[(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-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
CID 5353200
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane (CID 138984190) is tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane is C=CC/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane?
The InChIKey is FMUHZMFWGMHNTR-NLXKKPLHSA-N. The full InChI is InChI=1S/C19H36OSi/c1-11-13-15(3)14-17(5)18(16(4)12-2)20-21(9,10)19(6,7)8/h11-12,14,17-18H,1,13H2,2-10H3/b15-14+,16-12+/t17-,18+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane?
tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4R,5R,6E)-3,5,7-trimethyldeca-2,6,9-trien-4-yl]oxysilane is sourced from PubChem (CID 138984190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).