trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane

C17H36O5Si — CID 175003843

IUPACtrimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
SMILESCCCCCCCC(C(CC)OCC1CO1)[Si](OC)(OC)OC
InChIInChI=1S/C17H36O5Si/c1-6-8-9-10-11-12-17(23(18-3,19-4)20-5)16(7-2)22-14-15-13-21-15/h15-17H,6-14H2,1-5H3
InChIKeyQVPPHUWKFJWGJH-UHFFFAOYSA-N
MW348.56 g/mol
LogP3.79
Rot. Bonds15

About trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane

trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane (PubChem CID 175003843) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
PubChem CID175003843
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Nametrimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane
SMILESCCCCCCCC(C(CC)OCC1CO1)[Si](OC)(OC)OC
InChIInChI=1S/C17H36O5Si/c1-6-8-9-10-11-12-17(23(18-3,19-4)20-5)16(7-2)22-14-15-13-21-15/h15-17H,6-14H2,1-5H3
InChIKeyQVPPHUWKFJWGJH-UHFFFAOYSA-N
XLogP3.79
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
CID 151032004
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-(1-bromoheptoxymethyl)oxirane
CID 88600331
trimethoxy-[6-(oxiran-2-ylmethoxy)heptan-3-yl]silane
CID 89312307
2-[5-(triethoxymethyl)tridecan-4-yloxymethyl]oxirane
CID 152656998
methoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane;2-[4-(2-methoxypropan-2-yl)dodecoxymethyl]oxirane
CID 159157678
dimethoxy-[3-(oxiran-2-ylmethoxy)pentan-2-yl]silane
CID 173082214
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
2-[4-(trimethoxymethyl)dodecoxymethyl]oxirane
CID 151055599

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane?
The IUPAC name of trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane (CID 175003843) is trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane.
What is the SMILES notation for trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane?
The canonical SMILES for trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane is CCCCCCCC(C(CC)OCC1CO1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane?
The InChIKey is QVPPHUWKFJWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-6-8-9-10-11-12-17(23(18-3,19-4)20-5)16(7-2)22-14-15-13-21-15/h15-17H,6-14H2,1-5H3.
What are the key properties of trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane?
trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane has a molecular weight of 348.56 g/mol, XLogP of 3.79, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(oxiran-2-ylmethoxy)undecan-4-yl]silane is sourced from PubChem (CID 175003843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).