3-butan-2-yloxy-3-methyloxolane

C9H18O2 — CID 178052031

IUPAC3-butan-2-yloxy-3-methyloxolane
SMILESCCC(C)OC1(C)CCOC1
InChIInChI=1S/C9H18O2/c1-4-8(2)11-9(3)5-6-10-7-9/h8H,4-7H2,1-3H3
InChIKeyQPCCAAGTIYCRSL-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds3

About 3-butan-2-yloxy-3-methyloxolane

3-butan-2-yloxy-3-methyloxolane (PubChem CID 178052031) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-butan-2-yloxy-3-methyloxolane.

Molecular Properties

Compound Name3-butan-2-yloxy-3-methyloxolane
PubChem CID178052031
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-butan-2-yloxy-3-methyloxolane
SMILESCCC(C)OC1(C)CCOC1
InChIInChI=1S/C9H18O2/c1-4-8(2)11-9(3)5-6-10-7-9/h8H,4-7H2,1-3H3
InChIKeyQPCCAAGTIYCRSL-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-3-methyloxolane?
The IUPAC name of 3-butan-2-yloxy-3-methyloxolane (CID 178052031) is 3-butan-2-yloxy-3-methyloxolane.
What is the SMILES notation for 3-butan-2-yloxy-3-methyloxolane?
The canonical SMILES for 3-butan-2-yloxy-3-methyloxolane is CCC(C)OC1(C)CCOC1.
What is the InChIKey of 3-butan-2-yloxy-3-methyloxolane?
The InChIKey is QPCCAAGTIYCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-8(2)11-9(3)5-6-10-7-9/h8H,4-7H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-3-methyloxolane?
3-butan-2-yloxy-3-methyloxolane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-3-methyloxolane is sourced from PubChem (CID 178052031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).