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

C15H25ClO2Si — CID 123793922

IUPAC2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl
InChIInChI=1S/C15H25ClO2Si/c1-12(2)14-7-6-13(10-15(14)16)18-11-17-8-9-19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3
InChIKeySHYFMULSAVPMEY-UHFFFAOYSA-N
MW300.90 g/mol
LogP5.15
Rot. Bonds7

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

2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 123793922) has the molecular formula C15H25ClO2Si and a molecular weight of 300.90 g/mol. Its IUPAC name is 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID123793922
Molecular FormulaC15H25ClO2Si
Molecular Weight300.90 g/mol
Exact Mass300.13
IUPAC Name2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl
InChIInChI=1S/C15H25ClO2Si/c1-12(2)14-7-6-13(10-15(14)16)18-11-17-8-9-19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3
InChIKeySHYFMULSAVPMEY-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.90
LogP ≤ 55.15
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-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane (CID 123793922) is 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane is CC(C)c1ccc(OCOCC[Si](C)(C)C)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is SHYFMULSAVPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2Si/c1-12(2)14-7-6-13(10-15(14)16)18-11-17-8-9-19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3.
What are the key properties of 2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane?
2-[(3-chloro-4-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 300.90 g/mol, XLogP of 5.15, 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-propan-2-ylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123793922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).