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

C10H20O2 — CID 90791206

IUPAC3-(1-ethoxybutan-2-yl)oxolane
SMILESCCOCC(CC)C1CCOC1
InChIInChI=1S/C10H20O2/c1-3-9(7-11-4-2)10-5-6-12-8-10/h9-10H,3-8H2,1-2H3
InChIKeyVRTPYEHAFUOIKS-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.09
Rot. Bonds5

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

3-(1-ethoxybutan-2-yl)oxolane (PubChem CID 90791206) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(1-ethoxybutan-2-yl)oxolane.

Molecular Properties

Compound Name3-(1-ethoxybutan-2-yl)oxolane
PubChem CID90791206
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(1-ethoxybutan-2-yl)oxolane
SMILESCCOCC(CC)C1CCOC1
InChIInChI=1S/C10H20O2/c1-3-9(7-11-4-2)10-5-6-12-8-10/h9-10H,3-8H2,1-2H3
InChIKeyVRTPYEHAFUOIKS-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxybutan-2-yl)oxolane?
The IUPAC name of 3-(1-ethoxybutan-2-yl)oxolane (CID 90791206) is 3-(1-ethoxybutan-2-yl)oxolane.
What is the SMILES notation for 3-(1-ethoxybutan-2-yl)oxolane?
The canonical SMILES for 3-(1-ethoxybutan-2-yl)oxolane is CCOCC(CC)C1CCOC1.
What is the InChIKey of 3-(1-ethoxybutan-2-yl)oxolane?
The InChIKey is VRTPYEHAFUOIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9(7-11-4-2)10-5-6-12-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(1-ethoxybutan-2-yl)oxolane?
3-(1-ethoxybutan-2-yl)oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxybutan-2-yl)oxolane is sourced from PubChem (CID 90791206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).