3-ethoxy-2,4,5-trimethyloxolane

C9H18O2 — CID 22986568

IUPAC3-ethoxy-2,4,5-trimethyloxolane
SMILESCCOC1C(C)OC(C)C1C
InChIInChI=1S/C9H18O2/c1-5-10-9-6(2)7(3)11-8(9)4/h6-9H,5H2,1-4H3
InChIKeyVLFZBFUYGCVAKM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.83
Rot. Bonds2

About 3-ethoxy-2,4,5-trimethyloxolane

3-ethoxy-2,4,5-trimethyloxolane (PubChem CID 22986568) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-ethoxy-2,4,5-trimethyloxolane.

Molecular Properties

Compound Name3-ethoxy-2,4,5-trimethyloxolane
PubChem CID22986568
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-ethoxy-2,4,5-trimethyloxolane
SMILESCCOC1C(C)OC(C)C1C
InChIInChI=1S/C9H18O2/c1-5-10-9-6(2)7(3)11-8(9)4/h6-9H,5H2,1-4H3
InChIKeyVLFZBFUYGCVAKM-UHFFFAOYSA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4,5-trimethyloxolane?
The IUPAC name of 3-ethoxy-2,4,5-trimethyloxolane (CID 22986568) is 3-ethoxy-2,4,5-trimethyloxolane.
What is the SMILES notation for 3-ethoxy-2,4,5-trimethyloxolane?
The canonical SMILES for 3-ethoxy-2,4,5-trimethyloxolane is CCOC1C(C)OC(C)C1C.
What is the InChIKey of 3-ethoxy-2,4,5-trimethyloxolane?
The InChIKey is VLFZBFUYGCVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-10-9-6(2)7(3)11-8(9)4/h6-9H,5H2,1-4H3.
What are the key properties of 3-ethoxy-2,4,5-trimethyloxolane?
3-ethoxy-2,4,5-trimethyloxolane has a molecular weight of 158.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4,5-trimethyloxolane is sourced from PubChem (CID 22986568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).