bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane

C15H27BrOSi — CID 14691510

IUPACbromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane
SMILESC=C(C)CC(C#CCCCCC)O[Si](C)(C)CBr
InChIInChI=1S/C15H27BrOSi/c1-6-7-8-9-10-11-15(12-14(2)3)17-18(4,5)13-16/h15H,2,6-9,12-13H2,1,3-5H3
InChIKeyHNRSSDVXYMCJIZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP5.06
Rot. Bonds8

About bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane

bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane (PubChem CID 14691510) has the molecular formula C15H27BrOSi and a molecular weight of 331.37 g/mol. Its IUPAC name is bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namebromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane
PubChem CID14691510
Molecular FormulaC15H27BrOSi
Molecular Weight331.37 g/mol
Exact Mass330.10
IUPAC Namebromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane
SMILESC=C(C)CC(C#CCCCCC)O[Si](C)(C)CBr
InChIInChI=1S/C15H27BrOSi/c1-6-7-8-9-10-11-15(12-14(2)3)17-18(4,5)13-16/h15H,2,6-9,12-13H2,1,3-5H3
InChIKeyHNRSSDVXYMCJIZ-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
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(2R)-dec-3-yn-2-ol
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(2S)-heptadec-3-yn-2-ol
CID 58473313
ethane;2-methylhept-1-ene
CID 143682307
[(5R)-14-(3-bromopropylsulfanyl)tetradec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948201
1-(4-bromophenyl)non-3-yn-2-yloxy-tert-butyl-dimethylsilane
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methyl 11-hydroxyoctadeca-9,12-diynoate
CID 10913809

Frequently Asked Questions

What is the IUPAC name of bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane?
The IUPAC name of bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane (CID 14691510) is bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane.
What is the SMILES notation for bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane?
The canonical SMILES for bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane is C=C(C)CC(C#CCCCCC)O[Si](C)(C)CBr.
What is the InChIKey of bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane?
The InChIKey is HNRSSDVXYMCJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrOSi/c1-6-7-8-9-10-11-15(12-14(2)3)17-18(4,5)13-16/h15H,2,6-9,12-13H2,1,3-5H3.
What are the key properties of bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane?
bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane has a molecular weight of 331.37 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-dimethyl-(2-methylundec-1-en-5-yn-4-yloxy)silane is sourced from PubChem (CID 14691510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).