3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one

C24H40O6 — CID 159455035

IUPAC3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one
SMILESCOC(C)C(C)=O.COC(CC(C)C)C(C)=O.COC(Cc1ccccc1)C(C)=O
InChIInChI=1S/C11H14O2.C8H16O2.C5H10O2/c1-9(12)11(13-2)8-10-6-4-3-5-7-10;1-6(2)5-8(10-4)7(3)9;1-4(6)5(2)7-3/h3-7,11H,8H2,1-2H3;6,8H,5H2,1-4H3;5H,1-3H3
InChIKeyLTVYQAFMAIKHLY-UHFFFAOYSA-N
MW424.58 g/mol
LogP4.08
Rot. Bonds10

About 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one

3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one (PubChem CID 159455035) has the molecular formula C24H40O6 and a molecular weight of 424.58 g/mol. Its IUPAC name is 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one.

Molecular Properties

Compound Name3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one
PubChem CID159455035
Molecular FormulaC24H40O6
Molecular Weight424.58 g/mol
Exact Mass424.28
IUPAC Name3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one
SMILESCOC(C)C(C)=O.COC(CC(C)C)C(C)=O.COC(Cc1ccccc1)C(C)=O
InChIInChI=1S/C11H14O2.C8H16O2.C5H10O2/c1-9(12)11(13-2)8-10-6-4-3-5-7-10;1-6(2)5-8(10-4)7(3)9;1-4(6)5(2)7-3/h3-7,11H,8H2,1-2H3;6,8H,5H2,1-4H3;5H,1-3H3
InChIKeyLTVYQAFMAIKHLY-UHFFFAOYSA-N
XLogP4.08
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885
3-aminooxy-4-phenylbutan-2-one
CID 177137013
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
CID 158488358
CID 158488358
2-benzyl-2-methoxy-3-oxobutanoic acid;deuterium monohydride;methane;3-methoxy-4-phenylbutan-2-one
CID 162233546
(3S)-3-methoxy-4-[4-[3-(4-phenylphenoxy)propoxy]phenyl]butan-2-one
CID 58822710
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2S)-2-amino-3-phenylpropanoic acid;methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 70629808
2-methoxy-1,5-diphenylpentan-3-one
CID 50994790

Frequently Asked Questions

What is the IUPAC name of 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one?
The IUPAC name of 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one (CID 159455035) is 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one.
What is the SMILES notation for 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one?
The canonical SMILES for 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one is COC(C)C(C)=O.COC(CC(C)C)C(C)=O.COC(Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one?
The InChIKey is LTVYQAFMAIKHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C8H16O2.C5H10O2/c1-9(12)11(13-2)8-10-6-4-3-5-7-10;1-6(2)5-8(10-4)7(3)9;1-4(6)5(2)7-3/h3-7,11H,8H2,1-2H3;6,8H,5H2,1-4H3;5H,1-3H3.
What are the key properties of 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one?
3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one has a molecular weight of 424.58 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutan-2-one;3-methoxy-5-methylhexan-2-one;3-methoxy-4-phenylbutan-2-one is sourced from PubChem (CID 159455035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).