2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane

C13H19ClO3Si — CID 66846266

IUPAC2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCCO1
InChIInChI=1S/C13H19ClO3Si/c1-2-15-18(16-8-9-17-18)10-7-12-3-5-13(11-14)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyGTLGOQYRUSPORE-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.99
Rot. Bonds6

About 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane

2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane (PubChem CID 66846266) has the molecular formula C13H19ClO3Si and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane
PubChem CID66846266
Molecular FormulaC13H19ClO3Si
Molecular Weight286.83 g/mol
Exact Mass286.08
IUPAC Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCCO1
InChIInChI=1S/C13H19ClO3Si/c1-2-15-18(16-8-9-17-18)10-7-12-3-5-13(11-14)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyGTLGOQYRUSPORE-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethoxy-1,3,2-dioxasilolane?
The IUPAC name of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane (CID 66846266) is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane.
What is the SMILES notation for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane?
The canonical SMILES for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane is CCO[Si]1(CCc2ccc(CCl)cc2)OCCO1.
What is the InChIKey of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane?
The InChIKey is GTLGOQYRUSPORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3Si/c1-2-15-18(16-8-9-17-18)10-7-12-3-5-13(11-14)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane?
2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane has a molecular weight of 286.83 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane is sourced from PubChem (CID 66846266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).