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

C19H44O4 — CID 160719494

IUPACmethane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one
SMILESC.C.C.C.CC(=O)C1CC1C.CCCC(C)=O.COCC(C)=O
InChIInChI=1S/C6H10O.C5H10O.C4H8O2.4CH4/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;4*1H4
InChIKeyRSXIQPLICUCUDU-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.37
Rot. Bonds5

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

methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one (PubChem CID 160719494) has the molecular formula C19H44O4 and a molecular weight of 336.56 g/mol. Its IUPAC name is methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one.

Molecular Properties

Compound Namemethane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one
PubChem CID160719494
Molecular FormulaC19H44O4
Molecular Weight336.56 g/mol
Exact Mass336.32
IUPAC Namemethane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one
SMILESC.C.C.C.CC(=O)C1CC1C.CCCC(C)=O.COCC(C)=O
InChIInChI=1S/C6H10O.C5H10O.C4H8O2.4CH4/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;4*1H4
InChIKeyRSXIQPLICUCUDU-UHFFFAOYSA-N
XLogP5.37
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
The IUPAC name of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one (CID 160719494) is methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one.
What is the SMILES notation for methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
The canonical SMILES for methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one is C.C.C.C.CC(=O)C1CC1C.CCCC(C)=O.COCC(C)=O.
What is the InChIKey of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
The InChIKey is RSXIQPLICUCUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H10O.C4H8O2.4CH4/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;4*1H4.
What are the key properties of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one?
methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one has a molecular weight of 336.56 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;pentan-2-one is sourced from PubChem (CID 160719494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).