1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane

C18H36O9Si — CID 150839011

IUPAC1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCOC(C)(OC)O[Si](CCCOCC1CO1)(OC)OCCCCOCC1CO1
InChIInChI=1S/C18H36O9Si/c1-18(19-2,20-3)27-28(21-4,11-7-9-23-13-17-15-25-17)26-10-6-5-8-22-12-16-14-24-16/h16-17H,5-15H2,1-4H3
InChIKeyKNOVDZJUNGQMAN-UHFFFAOYSA-N
MW424.56 g/mol
LogP1.57
Rot. Bonds19

About 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane

1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 150839011) has the molecular formula C18H36O9Si and a molecular weight of 424.56 g/mol. Its IUPAC name is 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Name1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID150839011
Molecular FormulaC18H36O9Si
Molecular Weight424.56 g/mol
Exact Mass424.21
IUPAC Name1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCOC(C)(OC)O[Si](CCCOCC1CO1)(OC)OCCCCOCC1CO1
InChIInChI=1S/C18H36O9Si/c1-18(19-2,20-3)27-28(21-4,11-7-9-23-13-17-15-25-17)26-10-6-5-8-22-12-16-14-24-16/h16-17H,5-15H2,1-4H3
InChIKeyKNOVDZJUNGQMAN-UHFFFAOYSA-N
XLogP1.57
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane with MolForge

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Related Compounds

2-[2-hydroxyethoxy-methoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87722976
oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 169273482
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
trimethoxy-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 10130712
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
methyl-bis[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 139759531
3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 88618101
dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]-(2-phenylbut-3-yn-2-yloxy)silane
CID 141450490
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 150839011) is 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane is COC(C)(OC)O[Si](CCCOCC1CO1)(OC)OCCCCOCC1CO1.
What is the InChIKey of 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is KNOVDZJUNGQMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O9Si/c1-18(19-2,20-3)27-28(21-4,11-7-9-23-13-17-15-25-17)26-10-6-5-8-22-12-16-14-24-16/h16-17H,5-15H2,1-4H3.
What are the key properties of 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?
1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 424.56 g/mol, XLogP of 1.57, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 150839011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).