butan-2-one;methoxyethane;propane

C10H24O2 — CID 158787439

IUPACbutan-2-one;methoxyethane;propane
SMILESCCC.CCC(C)=O.CCOC
InChIInChI=1S/C4H8O.C3H8O.C3H8/c1-3-4(2)5;1-3-4-2;1-3-2/h3H2,1-2H3;3H2,1-2H3;3H2,1-2H3
InChIKeyIRVZCFBUEDTMJG-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.05
Rot. Bonds2

About butan-2-one;methoxyethane;propane

butan-2-one;methoxyethane;propane (PubChem CID 158787439) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is butan-2-one;methoxyethane;propane.

Molecular Properties

Compound Namebutan-2-one;methoxyethane;propane
PubChem CID158787439
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Namebutan-2-one;methoxyethane;propane
SMILESCCC.CCC(C)=O.CCOC
InChIInChI=1S/C4H8O.C3H8O.C3H8/c1-3-4(2)5;1-3-4-2;1-3-2/h3H2,1-2H3;3H2,1-2H3;3H2,1-2H3
InChIKeyIRVZCFBUEDTMJG-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-one;ethane;propane
CID 169173049
methoxyethane;1-methoxypropan-2-one
CID 159894285
ethyl acetate;methoxyethane;propane
CID 159041410
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
butan-2-one;cyclohexane;propane
CID 90815721
acetic acid;carbonic acid;methoxyethane;methoxymethane;propan-2-one
CID 157259516
bis(butan-2-one);ethyl acetate
CID 162133586
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;methane;propan-2-one
CID 159882043
acetylene;butan-2-one
CID 145415849

Frequently Asked Questions

What is the IUPAC name of butan-2-one;methoxyethane;propane?
The IUPAC name of butan-2-one;methoxyethane;propane (CID 158787439) is butan-2-one;methoxyethane;propane.
What is the SMILES notation for butan-2-one;methoxyethane;propane?
The canonical SMILES for butan-2-one;methoxyethane;propane is CCC.CCC(C)=O.CCOC.
What is the InChIKey of butan-2-one;methoxyethane;propane?
The InChIKey is IRVZCFBUEDTMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O.C3H8/c1-3-4(2)5;1-3-4-2;1-3-2/h3H2,1-2H3;3H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;methoxyethane;propane?
butan-2-one;methoxyethane;propane has a molecular weight of 176.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;methoxyethane;propane is sourced from PubChem (CID 158787439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).