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

C14H21ClO3Si — CID 66846007

IUPAC2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane
SMILESCO[Si]1(CCc2ccc(CCl)cc2)OCC(C)CO1
InChIInChI=1S/C14H21ClO3Si/c1-12-10-17-19(16-2,18-11-12)8-7-13-3-5-14(9-15)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyOJMCDPNSVHUDDP-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.24
Rot. Bonds5

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

2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane (PubChem CID 66846007) 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-methoxy-5-methyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane
PubChem CID66846007
Molecular FormulaC14H21ClO3Si
Molecular Weight300.86 g/mol
Exact Mass300.09
IUPAC Name2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane
SMILESCO[Si]1(CCc2ccc(CCl)cc2)OCC(C)CO1
InChIInChI=1S/C14H21ClO3Si/c1-12-10-17-19(16-2,18-11-12)8-7-13-3-5-14(9-15)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyOJMCDPNSVHUDDP-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.24
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'}

Analyze 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane?
The IUPAC name of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane (CID 66846007) is 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane is CO[Si]1(CCc2ccc(CCl)cc2)OCC(C)CO1.
What is the InChIKey of 2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane?
The InChIKey is OJMCDPNSVHUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3Si/c1-12-10-17-19(16-2,18-11-12)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-methoxy-5-methyl-1,3,2-dioxasilinane?
2-[2-[4-(chloromethyl)phenyl]ethyl]-2-methoxy-5-methyl-1,3,2-dioxasilinane has a molecular weight of 300.86 g/mol, XLogP of 3.24, 5 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-methoxy-5-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 66846007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).