oxolane;propan-2-ol;propan-2-one

C10H22O3 — CID 174956969

IUPACoxolane;propan-2-ol;propan-2-one
SMILESC1CCOC1.CC(C)=O.CC(C)O
InChIInChI=1S/C4H8O.C3H8O.C3H6O/c1-2-4-5-3-1;2*1-3(2)4/h1-4H2;3-4H,1-2H3;1-2H3
InChIKeyDWHXNXAZYGOWDK-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.78
Rot. Bonds

About oxolane;propan-2-ol;propan-2-one

oxolane;propan-2-ol;propan-2-one (PubChem CID 174956969) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is oxolane;propan-2-ol;propan-2-one.

Molecular Properties

Compound Nameoxolane;propan-2-ol;propan-2-one
PubChem CID174956969
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Nameoxolane;propan-2-ol;propan-2-one
SMILESC1CCOC1.CC(C)=O.CC(C)O
InChIInChI=1S/C4H8O.C3H8O.C3H6O/c1-2-4-5-3-1;2*1-3(2)4/h1-4H2;3-4H,1-2H3;1-2H3
InChIKeyDWHXNXAZYGOWDK-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxolane;propan-2-one
CID 22559816
oxolane;propan-2-ol
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acetonitrile;oxolane;propan-2-one
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2-methylpropane;oxolane
CID 70603205
1,4-dioxane;propan-2-one
CID 22407776
oxolane;palladium(2+);diacetate
CID 173243487
diethyl 2-methylpropanedioate;oxolane
CID 174718682
2,6-dimethylheptan-4-one;oxolane
CID 23467085
carbonic acid;oxolane
CID 68584797
2-chloropropane;oxolane
CID 159770837
2-methylpropane;oxane
CID 91454058
1,4-dioxane;propan-2-ol;hydrate
CID 70303390

Frequently Asked Questions

What is the IUPAC name of oxolane;propan-2-ol;propan-2-one?
The IUPAC name of oxolane;propan-2-ol;propan-2-one (CID 174956969) is oxolane;propan-2-ol;propan-2-one.
What is the SMILES notation for oxolane;propan-2-ol;propan-2-one?
The canonical SMILES for oxolane;propan-2-ol;propan-2-one is C1CCOC1.CC(C)=O.CC(C)O.
What is the InChIKey of oxolane;propan-2-ol;propan-2-one?
The InChIKey is DWHXNXAZYGOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O.C3H6O/c1-2-4-5-3-1;2*1-3(2)4/h1-4H2;3-4H,1-2H3;1-2H3.
What are the key properties of oxolane;propan-2-ol;propan-2-one?
oxolane;propan-2-ol;propan-2-one has a molecular weight of 190.28 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propan-2-ol;propan-2-one is sourced from PubChem (CID 174956969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).