(2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane

C7H16Cl2O3Si — CID 173433650

IUPAC(2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane
SMILESCCOC(OC)(O[SiH3])C(Cl)CCCl
InChIInChI=1S/C7H16Cl2O3Si/c1-3-11-7(10-2,12-13)6(9)4-5-8/h6H,3-5H2,1-2,13H3
InChIKeyILUUQEIWMIKQMG-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.86
Rot. Bonds7

About (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane

(2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane (PubChem CID 173433650) has the molecular formula C7H16Cl2O3Si and a molecular weight of 247.19 g/mol. Its IUPAC name is (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane.

Molecular Properties

Compound Name(2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane
PubChem CID173433650
Molecular FormulaC7H16Cl2O3Si
Molecular Weight247.19 g/mol
Exact Mass246.02
IUPAC Name(2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane
SMILESCCOC(OC)(O[SiH3])C(Cl)CCCl
InChIInChI=1S/C7H16Cl2O3Si/c1-3-11-7(10-2,12-13)6(9)4-5-8/h6H,3-5H2,1-2,13H3
InChIKeyILUUQEIWMIKQMG-UHFFFAOYSA-N
XLogP0.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.86
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1,1,1-triethoxy-2-methoxyethane
CID 57235223
2-chloro-1,1,1-triethoxypropane
CID 152680412
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
2-ethoxypropan-2-yloxysilane
CID 173032012
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
CID 150443837
4-[ethoxy(dimethoxy)methyl]dodec-2-ene
CID 158734367
(2-ethoxy-3-methylbutan-2-yl)oxysilane
CID 173460404
(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane
CID 173121476
(2S)-2-bromo-1,1,1-triethoxypropane
CID 6932530
1-chloro-1-ethoxy-1-methoxyethane
CID 87908688
1,1,1-triethoxypropan-2-ol
CID 87156976

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane?
The IUPAC name of (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane (CID 173433650) is (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane.
What is the SMILES notation for (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane?
The canonical SMILES for (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane is CCOC(OC)(O[SiH3])C(Cl)CCCl.
What is the InChIKey of (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane?
The InChIKey is ILUUQEIWMIKQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2O3Si/c1-3-11-7(10-2,12-13)6(9)4-5-8/h6H,3-5H2,1-2,13H3.
What are the key properties of (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane?
(2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane has a molecular weight of 247.19 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-1-ethoxy-1-methoxybutoxy)silane is sourced from PubChem (CID 173433650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).