2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane

C14H21ClO2Si — CID 66845810

IUPAC2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane
SMILESCC1CO[Si](C)(CCc2ccc(CCl)cc2)OC1
InChIInChI=1S/C14H21ClO2Si/c1-12-10-16-18(2,17-11-12)8-7-13-3-5-14(9-15)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyZMFGJSCIPXMUFR-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane

2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane (PubChem CID 66845810) has the molecular formula C14H21ClO2Si and a molecular weight of 284.86 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane
PubChem CID66845810
Molecular FormulaC14H21ClO2Si
Molecular Weight284.86 g/mol
Exact Mass284.10
IUPAC Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane
SMILESCC1CO[Si](C)(CCc2ccc(CCl)cc2)OC1
InChIInChI=1S/C14H21ClO2Si/c1-12-10-16-18(2,17-11-12)8-7-13-3-5-14(9-15)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyZMFGJSCIPXMUFR-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane?
The IUPAC name of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane (CID 66845810) is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane is CC1CO[Si](C)(CCc2ccc(CCl)cc2)OC1.
What is the InChIKey of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane?
The InChIKey is ZMFGJSCIPXMUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2Si/c1-12-10-16-18(2,17-11-12)8-7-13-3-5-14(9-15)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane?
2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane has a molecular weight of 284.86 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2,5-dimethyl-1,3,2-dioxasilinane is sourced from PubChem (CID 66845810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).