ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane

C13H28O3Si — CID 174952069

IUPACethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane
SMILESCCO[Si](C)(C)CC(C)CCCOCC1CO1
InChIInChI=1S/C13H28O3Si/c1-5-16-17(3,4)11-12(2)7-6-8-14-9-13-10-15-13/h12-13H,5-11H2,1-4H3
InChIKeyKAMKDBRONRNLQO-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.06
Rot. Bonds10

About ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane

ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane (PubChem CID 174952069) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane.

Molecular Properties

Compound Nameethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane
PubChem CID174952069
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nameethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane
SMILESCCO[Si](C)(C)CC(C)CCCOCC1CO1
InChIInChI=1S/C13H28O3Si/c1-5-16-17(3,4)11-12(2)7-6-8-14-9-13-10-15-13/h12-13H,5-11H2,1-4H3
InChIKeyKAMKDBRONRNLQO-UHFFFAOYSA-N
XLogP3.06
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane?
The IUPAC name of ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane (CID 174952069) is ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane.
What is the SMILES notation for ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane?
The canonical SMILES for ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane is CCO[Si](C)(C)CC(C)CCCOCC1CO1.
What is the InChIKey of ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane?
The InChIKey is KAMKDBRONRNLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-5-16-17(3,4)11-12(2)7-6-8-14-9-13-10-15-13/h12-13H,5-11H2,1-4H3.
What are the key properties of ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane?
ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane has a molecular weight of 260.45 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-[2-methyl-5-(oxiran-2-ylmethoxy)pentyl]silane is sourced from PubChem (CID 174952069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).