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

C14H21ClO3Si — CID 66845919

IUPAC2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCCCO1
InChIInChI=1S/C14H21ClO3Si/c1-2-16-19(17-9-3-10-18-19)11-8-13-4-6-14(12-15)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKeyVAENGIAYRVUWQH-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.38
Rot. Bonds6

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

2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane (PubChem CID 66845919) has the molecular formula C14H21ClO3Si and a molecular weight of 300.86 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane
PubChem CID66845919
Molecular FormulaC14H21ClO3Si
Molecular Weight300.86 g/mol
Exact Mass300.09
IUPAC Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCCCO1
InChIInChI=1S/C14H21ClO3Si/c1-2-16-19(17-9-3-10-18-19)11-8-13-4-6-14(12-15)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKeyVAENGIAYRVUWQH-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.38
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-dioxasilinane?
The IUPAC name of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane (CID 66845919) is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane.
What is the SMILES notation for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane?
The canonical SMILES for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane is CCO[Si]1(CCc2ccc(CCl)cc2)OCCCO1.
What is the InChIKey of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane?
The InChIKey is VAENGIAYRVUWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3Si/c1-2-16-19(17-9-3-10-18-19)11-8-13-4-6-14(12-15)7-5-13/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane?
2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinane has a molecular weight of 300.86 g/mol, XLogP of 3.38, 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-dioxasilinane is sourced from PubChem (CID 66845919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).