3-(propan-2-yloxymethyl)oxane

C9H18O2 — CID 54282829

IUPAC3-(propan-2-yloxymethyl)oxane
SMILESCC(C)OCC1CCCOC1
InChIInChI=1S/C9H18O2/c1-8(2)11-7-9-4-3-5-10-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPFNBOKURZJTUTA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds3

About 3-(propan-2-yloxymethyl)oxane

3-(propan-2-yloxymethyl)oxane (PubChem CID 54282829) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)oxane.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)oxane
PubChem CID54282829
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(propan-2-yloxymethyl)oxane
SMILESCC(C)OCC1CCCOC1
InChIInChI=1S/C9H18O2/c1-8(2)11-7-9-4-3-5-10-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPFNBOKURZJTUTA-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)oxane?
The IUPAC name of 3-(propan-2-yloxymethyl)oxane (CID 54282829) is 3-(propan-2-yloxymethyl)oxane.
What is the SMILES notation for 3-(propan-2-yloxymethyl)oxane?
The canonical SMILES for 3-(propan-2-yloxymethyl)oxane is CC(C)OCC1CCCOC1.
What is the InChIKey of 3-(propan-2-yloxymethyl)oxane?
The InChIKey is PFNBOKURZJTUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)11-7-9-4-3-5-10-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(propan-2-yloxymethyl)oxane?
3-(propan-2-yloxymethyl)oxane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)oxane is sourced from PubChem (CID 54282829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).