3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane

C11H25ClO2Si — CID 89136649

IUPAC3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane
SMILESCC(CCl)COCOCCC[Si](C)(C)C
InChIInChI=1S/C11H25ClO2Si/c1-11(8-12)9-14-10-13-6-5-7-15(2,3)4/h11H,5-10H2,1-4H3
InChIKeyLWOHISBPTGEZGV-UHFFFAOYSA-N
MW252.86 g/mol
LogP3.58
Rot. Bonds9

About 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane

3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane (PubChem CID 89136649) has the molecular formula C11H25ClO2Si and a molecular weight of 252.86 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane.

Molecular Properties

Compound Name3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane
PubChem CID89136649
Molecular FormulaC11H25ClO2Si
Molecular Weight252.86 g/mol
Exact Mass252.13
IUPAC Name3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane
SMILESCC(CCl)COCOCCC[Si](C)(C)C
InChIInChI=1S/C11H25ClO2Si/c1-11(8-12)9-14-10-13-6-5-7-15(2,3)4/h11H,5-10H2,1-4H3
InChIKeyLWOHISBPTGEZGV-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.86
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane?
The IUPAC name of 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane (CID 89136649) is 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane.
What is the SMILES notation for 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane?
The canonical SMILES for 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane is CC(CCl)COCOCCC[Si](C)(C)C.
What is the InChIKey of 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane?
The InChIKey is LWOHISBPTGEZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClO2Si/c1-11(8-12)9-14-10-13-6-5-7-15(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane?
3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane has a molecular weight of 252.86 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylpropoxy)methoxy]propyl-trimethylsilane is sourced from PubChem (CID 89136649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).