oxolane;propan-2-one

C7H14O2 — CID 22559816

IUPACoxolane;propan-2-one
SMILESC1CCOC1.CC(C)=O
InChIInChI=1S/C4H8O.C3H6O/c1-2-4-5-3-1;1-3(2)4/h1-4H2;1-2H3
InChIKeyQNXIYXGRPXRGOB-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.39
Rot. Bonds

About oxolane;propan-2-one

oxolane;propan-2-one (PubChem CID 22559816) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is oxolane;propan-2-one.

Molecular Properties

Compound Nameoxolane;propan-2-one
PubChem CID22559816
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameoxolane;propan-2-one
SMILESC1CCOC1.CC(C)=O
InChIInChI=1S/C4H8O.C3H6O/c1-2-4-5-3-1;1-3(2)4/h1-4H2;1-2H3
InChIKeyQNXIYXGRPXRGOB-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolane;propan-2-one?
The IUPAC name of oxolane;propan-2-one (CID 22559816) is oxolane;propan-2-one.
What is the SMILES notation for oxolane;propan-2-one?
The canonical SMILES for oxolane;propan-2-one is C1CCOC1.CC(C)=O.
What is the InChIKey of oxolane;propan-2-one?
The InChIKey is QNXIYXGRPXRGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O/c1-2-4-5-3-1;1-3(2)4/h1-4H2;1-2H3.
What are the key properties of oxolane;propan-2-one?
oxolane;propan-2-one has a molecular weight of 130.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propan-2-one is sourced from PubChem (CID 22559816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).