3-(1-ethoxypropan-2-yl)oxolane

C9H18O2 — CID 91264200

IUPAC3-(1-ethoxypropan-2-yl)oxolane
SMILESCCOCC(C)C1CCOC1
InChIInChI=1S/C9H18O2/c1-3-10-6-8(2)9-4-5-11-7-9/h8-9H,3-7H2,1-2H3
InChIKeyDMEHHPXWIVYIAM-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.70
Rot. Bonds4

About 3-(1-ethoxypropan-2-yl)oxolane

3-(1-ethoxypropan-2-yl)oxolane (PubChem CID 91264200) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yl)oxolane.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yl)oxolane
PubChem CID91264200
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(1-ethoxypropan-2-yl)oxolane
SMILESCCOCC(C)C1CCOC1
InChIInChI=1S/C9H18O2/c1-3-10-6-8(2)9-4-5-11-7-9/h8-9H,3-7H2,1-2H3
InChIKeyDMEHHPXWIVYIAM-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yl)oxolane?
The IUPAC name of 3-(1-ethoxypropan-2-yl)oxolane (CID 91264200) is 3-(1-ethoxypropan-2-yl)oxolane.
What is the SMILES notation for 3-(1-ethoxypropan-2-yl)oxolane?
The canonical SMILES for 3-(1-ethoxypropan-2-yl)oxolane is CCOCC(C)C1CCOC1.
What is the InChIKey of 3-(1-ethoxypropan-2-yl)oxolane?
The InChIKey is DMEHHPXWIVYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-10-6-8(2)9-4-5-11-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(1-ethoxypropan-2-yl)oxolane?
3-(1-ethoxypropan-2-yl)oxolane has a molecular weight of 158.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yl)oxolane is sourced from PubChem (CID 91264200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).