chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane

C8H16Cl2O2Si — CID 154266499

IUPACchloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC[Si](Cl)(CCl)CCCOCC1CO1
InChIInChI=1S/C8H16Cl2O2Si/c1-13(10,7-9)4-2-3-11-5-8-6-12-8/h8H,2-7H2,1H3
InChIKeyVTFMVORNFLEGJJ-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.38
Rot. Bonds7

About chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane

chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 154266499) has the molecular formula C8H16Cl2O2Si and a molecular weight of 243.21 g/mol. Its IUPAC name is chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namechloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID154266499
Molecular FormulaC8H16Cl2O2Si
Molecular Weight243.21 g/mol
Exact Mass242.03
IUPAC Namechloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESC[Si](Cl)(CCl)CCCOCC1CO1
InChIInChI=1S/C8H16Cl2O2Si/c1-13(10,7-9)4-2-3-11-5-8-6-12-8/h8H,2-7H2,1H3
InChIKeyVTFMVORNFLEGJJ-UHFFFAOYSA-N
XLogP2.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.38
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': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dichloro-methyl-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 153305388
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490
diethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139945217
bis[[[[[[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 88854641
tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate
CID 59734838
dimethyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-trimethylsilyloxysilane
CID 99864615
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
dimethyl-octyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 163299953
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223

Frequently Asked Questions

What is the IUPAC name of chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 154266499) is chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane is C[Si](Cl)(CCl)CCCOCC1CO1.
What is the InChIKey of chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is VTFMVORNFLEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O2Si/c1-13(10,7-9)4-2-3-11-5-8-6-12-8/h8H,2-7H2,1H3.
What are the key properties of chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 243.21 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(chloromethyl)-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 154266499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).