oxolan-2-one;propane

C7H14O2 — CID 91446607

IUPACoxolan-2-one;propane
SMILESCCC.O=C1CCCO1
InChIInChI=1S/C4H6O2.C3H8/c5-4-2-1-3-6-4;1-3-2/h1-3H2;3H2,1-2H3
InChIKeyQUSAGJFDOJXHEX-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.74
Rot. Bonds

About oxolan-2-one;propane

oxolan-2-one;propane (PubChem CID 91446607) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is oxolan-2-one;propane.

Molecular Properties

Compound Nameoxolan-2-one;propane
PubChem CID91446607
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameoxolan-2-one;propane
SMILESCCC.O=C1CCCO1
InChIInChI=1S/C4H6O2.C3H8/c5-4-2-1-3-6-4;1-3-2/h1-3H2;3H2,1-2H3
InChIKeyQUSAGJFDOJXHEX-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-one;propane?
The IUPAC name of oxolan-2-one;propane (CID 91446607) is oxolan-2-one;propane.
What is the SMILES notation for oxolan-2-one;propane?
The canonical SMILES for oxolan-2-one;propane is CCC.O=C1CCCO1.
What is the InChIKey of oxolan-2-one;propane?
The InChIKey is QUSAGJFDOJXHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H8/c5-4-2-1-3-6-4;1-3-2/h1-3H2;3H2,1-2H3.
What are the key properties of oxolan-2-one;propane?
oxolan-2-one;propane has a molecular weight of 130.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-one;propane is sourced from PubChem (CID 91446607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).