1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one

C15H28O4 — CID 161093220

IUPAC1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one
SMILESCC(=O)C1CC1C.CCCC(C)=O.COCC(C)=O
InChIInChI=1S/C6H10O.C5H10O.C4H8O2/c1-4-3-6(4)5(2)7;1-3-4-5(2)6;1-4(5)3-6-2/h4,6H,3H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyUHLKTDNQHOFEHM-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.83
Rot. Bonds5

About 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one

1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one (PubChem CID 161093220) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one.

Molecular Properties

Compound Name1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one
PubChem CID161093220
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one
SMILESCC(=O)C1CC1C.CCCC(C)=O.COCC(C)=O
InChIInChI=1S/C6H10O.C5H10O.C4H8O2/c1-4-3-6(4)5(2)7;1-3-4-5(2)6;1-4(5)3-6-2/h4,6H,3H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyUHLKTDNQHOFEHM-UHFFFAOYSA-N
XLogP2.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
The IUPAC name of 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one (CID 161093220) is 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one.
What is the SMILES notation for 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
The canonical SMILES for 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one is CC(=O)C1CC1C.CCCC(C)=O.COCC(C)=O.
What is the InChIKey of 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
The InChIKey is UHLKTDNQHOFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H10O.C4H8O2/c1-4-3-6(4)5(2)7;1-3-4-5(2)6;1-4(5)3-6-2/h4,6H,3H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one has a molecular weight of 272.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one is sourced from PubChem (CID 161093220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).