[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane

C16H33BrOSi — CID 11110873

IUPAC[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C/CCC(C)CCO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C16H33BrOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10,14H,8-9,11-13H2,1-7H3/b15-10-
InChIKeyNUGNDCWFECXBDV-GDNBJRDFSA-N
MW349.43 g/mol
LogP6.16
Rot. Bonds8

About [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane

[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11110873) has the molecular formula C16H33BrOSi and a molecular weight of 349.43 g/mol. Its IUPAC name is [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane
PubChem CID11110873
Molecular FormulaC16H33BrOSi
Molecular Weight349.43 g/mol
Exact Mass348.15
IUPAC Name[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(=C/CCC(C)CCO[Si](C)(C)C(C)(C)C)CBr
InChIInChI=1S/C16H33BrOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10,14H,8-9,11-13H2,1-7H3/b15-10-
InChIKeyNUGNDCWFECXBDV-GDNBJRDFSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
CID 11452085
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 53329189
{[(3r)-5-(Bromomethyl)-3-methylhex-5-en-1-yl]-oxy}(t-butyl)dimethylsilane
CID 129756535
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
CID 134963593
[(2E)-2-bromo-5,9-dimethyldeca-2,8-dienoxy]-tert-butyl-dimethylsilane
CID 138984604
2-[(1R)-3-bromocyclohex-3-en-1-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 154720648

Frequently Asked Questions

What is the IUPAC name of [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane (CID 11110873) is [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane is C/C(=C/CCC(C)CCO[Si](C)(C)C(C)(C)C)CBr.
What is the InChIKey of [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is NUGNDCWFECXBDV-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H33BrOSi/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10,14H,8-9,11-13H2,1-7H3/b15-10-.
What are the key properties of [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane?
[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 349.43 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11110873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).