2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane

C14H23ClO2Si — CID 158135746

IUPAC2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCCc1ccc(OCOCC[Si](C)(C)C)cc1Cl
InChIInChI=1S/C14H23ClO2Si/c1-5-12-6-7-13(10-14(12)15)17-11-16-8-9-18(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyFTIBEEHNXZIKQK-UHFFFAOYSA-N
MW286.87 g/mol
LogP4.59
Rot. Bonds7

About 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane

2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 158135746) has the molecular formula C14H23ClO2Si and a molecular weight of 286.87 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID158135746
Molecular FormulaC14H23ClO2Si
Molecular Weight286.87 g/mol
Exact Mass286.12
IUPAC Name2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCCc1ccc(OCOCC[Si](C)(C)C)cc1Cl
InChIInChI=1S/C14H23ClO2Si/c1-5-12-6-7-13(10-14(12)15)17-11-16-8-9-18(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyFTIBEEHNXZIKQK-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane (CID 158135746) is 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane is CCc1ccc(OCOCC[Si](C)(C)C)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is FTIBEEHNXZIKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2Si/c1-5-12-6-7-13(10-14(12)15)17-11-16-8-9-18(2,3)4/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane?
2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 286.87 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158135746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).