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

C17H27ClO4Si — CID 66845993

IUPAC[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCC(CC)(CO)CO1
InChIInChI=1S/C17H27ClO4Si/c1-3-17(12-19)13-21-23(20-4-2,22-14-17)10-9-15-5-7-16(11-18)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyHKRTXEWSZIEUQA-UHFFFAOYSA-N
MW358.94 g/mol
LogP3.38
Rot. Bonds8

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

[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol (PubChem CID 66845993) has the molecular formula C17H27ClO4Si and a molecular weight of 358.94 g/mol. Its IUPAC name is [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol
PubChem CID66845993
Molecular FormulaC17H27ClO4Si
Molecular Weight358.94 g/mol
Exact Mass358.14
IUPAC Name[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol
SMILESCCO[Si]1(CCc2ccc(CCl)cc2)OCC(CC)(CO)CO1
InChIInChI=1S/C17H27ClO4Si/c1-3-17(12-19)13-21-23(20-4-2,22-14-17)10-9-15-5-7-16(11-18)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyHKRTXEWSZIEUQA-UHFFFAOYSA-N
XLogP3.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 53.38
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-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol?
The IUPAC name of [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol (CID 66845993) is [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol.
What is the SMILES notation for [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol?
The canonical SMILES for [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol is CCO[Si]1(CCc2ccc(CCl)cc2)OCC(CC)(CO)CO1.
What is the InChIKey of [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol?
The InChIKey is HKRTXEWSZIEUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO4Si/c1-3-17(12-19)13-21-23(20-4-2,22-14-17)10-9-15-5-7-16(11-18)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3.
What are the key properties of [2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol?
[2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol has a molecular weight of 358.94 g/mol, XLogP of 3.38, 8 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-5-ethyl-1,3,2-dioxasilinan-5-yl]methanol is sourced from PubChem (CID 66845993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).