tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide

C16H25ClO4Si — CID 162028338

IUPACtert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccccc1Cl.O=C=O
InChIInChI=1S/C15H25ClO2Si.CO2/c1-15(2,3)19(4,5)18-12-8-11-17-14-10-7-6-9-13(14)16;2-1-3/h6-7,9-10H,8,11-12H2,1-5H3;
InChIKeyYVRKXOGJNKGUHA-UHFFFAOYSA-N
MW344.91 g/mol
LogP4.55
Rot. Bonds6

About tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide

tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide (PubChem CID 162028338) has the molecular formula C16H25ClO4Si and a molecular weight of 344.91 g/mol. Its IUPAC name is tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide.

Molecular Properties

Compound Nametert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
PubChem CID162028338
Molecular FormulaC16H25ClO4Si
Molecular Weight344.91 g/mol
Exact Mass344.12
IUPAC Nametert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccccc1Cl.O=C=O
InChIInChI=1S/C15H25ClO2Si.CO2/c1-15(2,3)19(4,5)18-12-8-11-17-14-10-7-6-9-13(14)16;2-1-3/h6-7,9-10H,8,11-12H2,1-5H3;
InChIKeyYVRKXOGJNKGUHA-UHFFFAOYSA-N
XLogP4.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide?
The IUPAC name of tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide (CID 162028338) is tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide.
What is the SMILES notation for tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide?
The canonical SMILES for tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide is CC(C)(C)[Si](C)(C)OCCCOc1ccccc1Cl.O=C=O.
What is the InChIKey of tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide?
The InChIKey is YVRKXOGJNKGUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO2Si.CO2/c1-15(2,3)19(4,5)18-12-8-11-17-14-10-7-6-9-13(14)16;2-1-3/h6-7,9-10H,8,11-12H2,1-5H3;.
What are the key properties of tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide?
tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide has a molecular weight of 344.91 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide is sourced from PubChem (CID 162028338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).