methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one

C18H40O4 — CID 158804510

IUPACmethane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one
SMILESC.C.CC(=O)C1CC1C.CC(C)=O.CCC.COCC(C)=O
InChIInChI=1S/C6H10O.C4H8O2.C3H6O.C3H8.2CH4/c1-4-3-6(4)5(2)7;1-4(5)3-6-2;1-3(2)4;1-3-2;;/h4,6H,3H2,1-2H3;3H2,1-2H3;1-2H3;3H2,1-2H3;2*1H4
InChIKeyITXDVIROKCZLIA-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.74
Rot. Bonds3

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

methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one (PubChem CID 158804510) has the molecular formula C18H40O4 and a molecular weight of 320.51 g/mol. Its IUPAC name is methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one.

Molecular Properties

Compound Namemethane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one
PubChem CID158804510
Molecular FormulaC18H40O4
Molecular Weight320.51 g/mol
Exact Mass320.29
IUPAC Namemethane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one
SMILESC.C.CC(=O)C1CC1C.CC(C)=O.CCC.COCC(C)=O
InChIInChI=1S/C6H10O.C4H8O2.C3H6O.C3H8.2CH4/c1-4-3-6(4)5(2)7;1-4(5)3-6-2;1-3(2)4;1-3-2;;/h4,6H,3H2,1-2H3;3H2,1-2H3;1-2H3;3H2,1-2H3;2*1H4
InChIKeyITXDVIROKCZLIA-UHFFFAOYSA-N
XLogP4.74
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.74
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;propane;propan-2-one?
The IUPAC name of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one (CID 158804510) is methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one.
What is the SMILES notation for methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one?
The canonical SMILES for methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one is C.C.CC(=O)C1CC1C.CC(C)=O.CCC.COCC(C)=O.
What is the InChIKey of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one?
The InChIKey is ITXDVIROKCZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H8O2.C3H6O.C3H8.2CH4/c1-4-3-6(4)5(2)7;1-4(5)3-6-2;1-3(2)4;1-3-2;;/h4,6H,3H2,1-2H3;3H2,1-2H3;1-2H3;3H2,1-2H3;2*1H4.
What are the key properties of methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one?
methane;1-methoxypropan-2-one;1-(2-methylcyclopropyl)ethanone;propane;propan-2-one has a molecular weight of 320.51 g/mol, XLogP of 4.74, 3 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;propane;propan-2-one is sourced from PubChem (CID 158804510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).