[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane

C8H16Cl2O3Si — CID 173033683

IUPAC[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane
SMILES[SiH3]OC(CCCOCC1CO1)C(Cl)Cl
InChIInChI=1S/C8H16Cl2O3Si/c9-8(10)7(13-14)2-1-3-11-4-6-5-12-6/h6-8H,1-5H2,14H3
InChIKeyLJAQKNYEGZAKRX-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.65
Rot. Bonds8

About [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane

[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane (PubChem CID 173033683) has the molecular formula C8H16Cl2O3Si and a molecular weight of 259.20 g/mol. Its IUPAC name is [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane.

Molecular Properties

Compound Name[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane
PubChem CID173033683
Molecular FormulaC8H16Cl2O3Si
Molecular Weight259.20 g/mol
Exact Mass258.02
IUPAC Name[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane
SMILES[SiH3]OC(CCCOCC1CO1)C(Cl)Cl
InChIInChI=1S/C8H16Cl2O3Si/c9-8(10)7(13-14)2-1-3-11-4-6-5-12-6/h6-8H,1-5H2,14H3
InChIKeyLJAQKNYEGZAKRX-UHFFFAOYSA-N
XLogP0.65
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
2-[[9-(oxiran-2-ylmethoxy)-5,5-bis[4-(oxiran-2-ylmethoxy)butyl]nonoxy]methyl]oxirane
CID 150577624
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane?
The IUPAC name of [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane (CID 173033683) is [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane.
What is the SMILES notation for [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane?
The canonical SMILES for [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane is [SiH3]OC(CCCOCC1CO1)C(Cl)Cl.
What is the InChIKey of [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane?
The InChIKey is LJAQKNYEGZAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O3Si/c9-8(10)7(13-14)2-1-3-11-4-6-5-12-6/h6-8H,1-5H2,14H3.
What are the key properties of [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane?
[1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane has a molecular weight of 259.20 g/mol, XLogP of 0.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dichloro-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxysilane is sourced from PubChem (CID 173033683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).