dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane

C14H30O4Si — CID 140874787

IUPACdimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane
SMILESCCCCCC(CC[Si](C)(OC)OC)OCC1CO1
InChIInChI=1S/C14H30O4Si/c1-5-6-7-8-13(17-11-14-12-18-14)9-10-19(4,15-2)16-3/h13-14H,5-12H2,1-4H3
InChIKeyYPQKSJCVDCZGOE-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.11
Rot. Bonds12

About dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane

dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane (PubChem CID 140874787) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane
PubChem CID140874787
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namedimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane
SMILESCCCCCC(CC[Si](C)(OC)OC)OCC1CO1
InChIInChI=1S/C14H30O4Si/c1-5-6-7-8-13(17-11-14-12-18-14)9-10-19(4,15-2)16-3/h13-14H,5-12H2,1-4H3
InChIKeyYPQKSJCVDCZGOE-UHFFFAOYSA-N
XLogP3.11
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane?
The IUPAC name of dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane (CID 140874787) is dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane.
What is the SMILES notation for dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane?
The canonical SMILES for dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane is CCCCCC(CC[Si](C)(OC)OC)OCC1CO1.
What is the InChIKey of dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane?
The InChIKey is YPQKSJCVDCZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-5-6-7-8-13(17-11-14-12-18-14)9-10-19(4,15-2)16-3/h13-14H,5-12H2,1-4H3.
What are the key properties of dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane?
dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane has a molecular weight of 290.48 g/mol, XLogP of 3.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[3-(oxiran-2-ylmethoxy)octyl]silane is sourced from PubChem (CID 140874787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).