[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol

C15H23ClO4Si — CID 66845771

IUPAC[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCC(CO)CO1
InChIInChI=1S/C15H23ClO4Si/c1-2-18-21(19-11-15(10-17)12-20-21)8-7-13-3-5-14(9-16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyXWRQWUZJLOVJBR-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.60
Rot. Bonds7

About [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol

[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol (PubChem CID 66845771) has the molecular formula C15H23ClO4Si and a molecular weight of 330.88 g/mol. Its IUPAC name is [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol
PubChem CID66845771
Molecular FormulaC15H23ClO4Si
Molecular Weight330.88 g/mol
Exact Mass330.11
IUPAC Name[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCC(CO)CO1
InChIInChI=1S/C15H23ClO4Si/c1-2-18-21(19-11-15(10-17)12-20-21)8-7-13-3-5-14(9-16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyXWRQWUZJLOVJBR-UHFFFAOYSA-N
XLogP2.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-dioxasilinan-5-yl]methanol?
The IUPAC name of [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol (CID 66845771) is [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol.
What is the SMILES notation for [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol?
The canonical SMILES for [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol is CCO[Si]1(CCc2ccc(CCl)cc2)OCC(CO)CO1.
What is the InChIKey of [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol?
The InChIKey is XWRQWUZJLOVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO4Si/c1-2-18-21(19-11-15(10-17)12-20-21)8-7-13-3-5-14(9-16)6-4-13/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol?
[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol has a molecular weight of 330.88 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilinan-5-yl]methanol is sourced from PubChem (CID 66845771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).