1-methoxypropan-2-ol;pentan-2-one

C9H20O3 — CID 159536504

IUPAC1-methoxypropan-2-ol;pentan-2-one
SMILESCCCC(C)=O.COCC(C)O
InChIInChI=1S/C5H10O.C4H10O2/c1-3-4-5(2)6;1-4(5)3-6-2/h3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyMDQVAPDPKLZGGC-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.39
Rot. Bonds4

About 1-methoxypropan-2-ol;pentan-2-one

1-methoxypropan-2-ol;pentan-2-one (PubChem CID 159536504) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methoxypropan-2-ol;pentan-2-one.

Molecular Properties

Compound Name1-methoxypropan-2-ol;pentan-2-one
PubChem CID159536504
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1-methoxypropan-2-ol;pentan-2-one
SMILESCCCC(C)=O.COCC(C)O
InChIInChI=1S/C5H10O.C4H10O2/c1-3-4-5(2)6;1-4(5)3-6-2/h3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyMDQVAPDPKLZGGC-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Butan-2-one;methanol;1-methoxypropan-2-ol
CID 17961602
Butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 21425085
2-Pentanone Glycerol
CID 86639488
2-Methoxyethanol;4-methylpentan-2-one
CID 87066857
1-Ethoxypropan-2-ol;4-methylpentan-2-one
CID 87070394
4-Methylpentan-2-one;1-propoxypropan-2-ol
CID 87072232
1-Methoxypropan-2-ol;propan-2-one
CID 87509433
Butane-2,3-dione;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87864998
Ethane-1,2-diol;ethoxyethane;pentan-3-one
CID 87877050
Ethane-1,2-diol;methoxymethane;pentan-3-one
CID 87877053
Butan-2-one;1-methoxypropan-2-ol;hydrate
CID 88028171
2-Methoxyethanol;pentan-3-one
CID 88202649

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ol;pentan-2-one?
The IUPAC name of 1-methoxypropan-2-ol;pentan-2-one (CID 159536504) is 1-methoxypropan-2-ol;pentan-2-one.
What is the SMILES notation for 1-methoxypropan-2-ol;pentan-2-one?
The canonical SMILES for 1-methoxypropan-2-ol;pentan-2-one is CCCC(C)=O.COCC(C)O.
What is the InChIKey of 1-methoxypropan-2-ol;pentan-2-one?
The InChIKey is MDQVAPDPKLZGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H10O2/c1-3-4-5(2)6;1-4(5)3-6-2/h3-4H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 1-methoxypropan-2-ol;pentan-2-one?
1-methoxypropan-2-ol;pentan-2-one has a molecular weight of 176.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ol;pentan-2-one is sourced from PubChem (CID 159536504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).