chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane

C13H19ClOSi — CID 10729668

IUPACchloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)CCl)c1ccccc1
InChIInChI=1S/C13H19ClOSi/c1-4-8-13(15-16(2,3)11-14)12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3
InChIKeyFRUQDTQJERFNDY-UHFFFAOYSA-N
MW254.83 g/mol
LogP4.30
Rot. Bonds6

About chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane

chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane (PubChem CID 10729668) has the molecular formula C13H19ClOSi and a molecular weight of 254.83 g/mol. Its IUPAC name is chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane.

Molecular Properties

Compound Namechloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
PubChem CID10729668
Molecular FormulaC13H19ClOSi
Molecular Weight254.83 g/mol
Exact Mass254.09
IUPAC Namechloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
SMILESC=CCC(O[Si](C)(C)CCl)c1ccccc1
InChIInChI=1S/C13H19ClOSi/c1-4-8-13(15-16(2,3)11-14)12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3
InChIKeyFRUQDTQJERFNDY-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.83
LogP ≤ 54.30
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'}

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Related Compounds

tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane
CID 101246046
CID 10779896
CID 10779896
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
CID 177490506
CID 177490506
4-(1-trimethylsilyloxybut-3-enyl)benzonitrile
CID 132540414
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107
1-phenylbut-3-enyl carbamate
CID 126509930
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
1-chloro-3-[(1S)-1-phenylbut-3-enoxy]benzene
CID 122689566
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057

Frequently Asked Questions

What is the IUPAC name of chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane?
The IUPAC name of chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane (CID 10729668) is chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane.
What is the SMILES notation for chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane?
The canonical SMILES for chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane is C=CCC(O[Si](C)(C)CCl)c1ccccc1.
What is the InChIKey of chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane?
The InChIKey is FRUQDTQJERFNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClOSi/c1-4-8-13(15-16(2,3)11-14)12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3.
What are the key properties of chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane?
chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane has a molecular weight of 254.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane is sourced from PubChem (CID 10729668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).