bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane

C16H31BrOSi — CID 10760066

IUPACbromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane
SMILESCC(C)C(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C
InChIInChI=1S/C16H31BrOSi/c1-13(2)16(14(3)4,11-10-15(5,6)7)18-19(8,9)12-17/h13-14H,12H2,1-9H3
InChIKeyKYUZGZGZWBOFQX-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.24
Rot. Bonds5

About bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane

bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane (PubChem CID 10760066) has the molecular formula C16H31BrOSi and a molecular weight of 347.41 g/mol. Its IUPAC name is bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane
PubChem CID10760066
Molecular FormulaC16H31BrOSi
Molecular Weight347.41 g/mol
Exact Mass346.13
IUPAC Namebromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane
SMILESCC(C)C(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C
InChIInChI=1S/C16H31BrOSi/c1-13(2)16(14(3)4,11-10-15(5,6)7)18-19(8,9)12-17/h13-14H,12H2,1-9H3
InChIKeyKYUZGZGZWBOFQX-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.24
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Bromomethyl-dimethyl-(4-methyl-3-propan-2-yl-1-trimethylsilylpent-1-yn-3-yl)oxysilane
CID 10498948
Bromomethyl-(2,2-dimethyl-5-propan-2-yldeca-3,9-diyn-5-yl)oxy-dimethylsilane
CID 11793582
Bromomethyl-dimethyl-(4-methyl-3-propan-2-ylpent-1-yn-3-yl)oxysilane
CID 15396059

Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane?
The IUPAC name of bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane (CID 10760066) is bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane.
What is the SMILES notation for bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane?
The canonical SMILES for bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane is CC(C)C(C#CC(C)(C)C)(O[Si](C)(C)CBr)C(C)C.
What is the InChIKey of bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane?
The InChIKey is KYUZGZGZWBOFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrOSi/c1-13(2)16(14(3)4,11-10-15(5,6)7)18-19(8,9)12-17/h13-14H,12H2,1-9H3.
What are the key properties of bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane?
bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane has a molecular weight of 347.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(2,6,6-trimethyl-3-propan-2-ylhept-4-yn-3-yl)oxysilane is sourced from PubChem (CID 10760066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).