(6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane

C13H29BrOSi — CID 566436

IUPAC(6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(CCCBr)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29BrOSi/c1-11(9-8-10-14)12(2)15-16(6,7)13(3,4)5/h11-12H,8-10H2,1-7H3
InChIKeyRZNPHACGKJSLHB-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.21
Rot. Bonds6

About (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane

(6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 566436) has the molecular formula C13H29BrOSi and a molecular weight of 309.36 g/mol. Its IUPAC name is (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane
PubChem CID566436
Molecular FormulaC13H29BrOSi
Molecular Weight309.36 g/mol
Exact Mass308.12
IUPAC Name(6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(CCCBr)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29BrOSi/c1-11(9-8-10-14)12(2)15-16(6,7)13(3,4)5/h11-12H,8-10H2,1-7H3
InChIKeyRZNPHACGKJSLHB-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.21
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'}

Analyze (6-bromo-3-methylhexan-2-yl)oxy-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

Tert-butyldimethyl{[(1r,4r)-4-(bromomethyl)cyclohexyl]oxy}silane
CID 140831833
[(2R,3R)-1-bromo-2,4-dimethylpentan-3-yl]oxy-trimethylsilane
CID 14138979
[(2S)-5-bromo-2-methylpentoxy]-tri(propan-2-yl)silane
CID 56957599
[(3R,4S)-6-bromo-2,4-dimethylhexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10615894
(1-Bromo-5-methylheptan-4-yl)oxy-trimethylsilane
CID 17939212
(8-Bromo-3-methyloctan-2-yl)oxy-trimethylsilane
CID 19766104
2-(2-Bromoethyl)cyclopropylmethyl t-butyldimethyl silyl ether
CID 21760427
7-Bromoheptan-2-yloxy-tert-butyl-dimethylsilane
CID 85370391
1-Bromohexan-3-yloxy-tert-butyl-dimethylsilane
CID 86242562
(1-Bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
CID 87193220
[3-(Bromomethyl)cyclobutoxy](tert-butyl)dimethylsilane
CID 135392400
6-Bromohexan-2-yloxy-tert-butyl-dimethylsilane
CID 139679889

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane (CID 566436) is (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane is CC(CCCBr)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is RZNPHACGKJSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BrOSi/c1-11(9-8-10-14)12(2)15-16(6,7)13(3,4)5/h11-12H,8-10H2,1-7H3.
What are the key properties of (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane?
(6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 309.36 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methylhexan-2-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 566436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).