trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane

C12H26O5Si — CID 166545041

IUPACtrimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane
SMILESCCC(CCOCC1CCO1)[Si](OC)(OC)OC
InChIInChI=1S/C12H26O5Si/c1-5-12(18(13-2,14-3)15-4)7-8-16-10-11-6-9-17-11/h11-12H,5-10H2,1-4H3
InChIKeyKHYXQJYDDUJVKQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.84
Rot. Bonds10

About trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane

trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane (PubChem CID 166545041) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane
PubChem CID166545041
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nametrimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane
SMILESCCC(CCOCC1CCO1)[Si](OC)(OC)OC
InChIInChI=1S/C12H26O5Si/c1-5-12(18(13-2,14-3)15-4)7-8-16-10-11-6-9-17-11/h11-12H,5-10H2,1-4H3
InChIKeyKHYXQJYDDUJVKQ-UHFFFAOYSA-N
XLogP1.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.84
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane?
The IUPAC name of trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane (CID 166545041) is trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane.
What is the SMILES notation for trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane?
The canonical SMILES for trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane is CCC(CCOCC1CCO1)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane?
The InChIKey is KHYXQJYDDUJVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-5-12(18(13-2,14-3)15-4)7-8-16-10-11-6-9-17-11/h11-12H,5-10H2,1-4H3.
What are the key properties of trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane?
trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane has a molecular weight of 278.42 g/mol, XLogP of 1.84, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(oxetan-2-ylmethoxy)pentan-3-yl]silane is sourced from PubChem (CID 166545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).