2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane

C14H26O6 — CID 151765401

IUPAC2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane
SMILESCOC1(CCCOCC2CO2)CCCOC1(OC)OC
InChIInChI=1S/C14H26O6/c1-15-13(6-4-8-18-10-12-11-19-12)7-5-9-20-14(13,16-2)17-3/h12H,4-11H2,1-3H3
InChIKeyRRLQIIZCYQPYNB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds9

About 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane

2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane (PubChem CID 151765401) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane.

Molecular Properties

Compound Name2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane
PubChem CID151765401
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane
SMILESCOC1(CCCOCC2CO2)CCCOC1(OC)OC
InChIInChI=1S/C14H26O6/c1-15-13(6-4-8-18-10-12-11-19-12)7-5-9-20-14(13,16-2)17-3/h12H,4-11H2,1-3H3
InChIKeyRRLQIIZCYQPYNB-UHFFFAOYSA-N
XLogP1.32
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane?
The IUPAC name of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane (CID 151765401) is 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane.
What is the SMILES notation for 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane?
The canonical SMILES for 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane is COC1(CCCOCC2CO2)CCCOC1(OC)OC.
What is the InChIKey of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane?
The InChIKey is RRLQIIZCYQPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-15-13(6-4-8-18-10-12-11-19-12)7-5-9-20-14(13,16-2)17-3/h12H,4-11H2,1-3H3.
What are the key properties of 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane?
2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane has a molecular weight of 290.36 g/mol, XLogP of 1.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethoxy-3-[3-(oxiran-2-ylmethoxy)propyl]oxane is sourced from PubChem (CID 151765401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).