6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one

C24H49NO6 — CID 158176020

IUPAC6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one
SMILESCC(C)C(=O)C(O)CCN.CCCC(O)C(=O)C(C)C.CCCCC(O)C(=O)C(C)C
InChIInChI=1S/C9H18O2.C8H16O2.C7H15NO2/c1-4-5-6-8(10)9(11)7(2)3;1-4-5-7(9)8(10)6(2)3;1-5(2)7(10)6(9)3-4-8/h7-8,10H,4-6H2,1-3H3;6-7,9H,4-5H2,1-3H3;5-6,9H,3-4,8H2,1-2H3
InChIKeyFXZWQBWLEUTTEM-UHFFFAOYSA-N
MW447.66 g/mol
LogP3.06
Rot. Bonds13

About 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one

6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one (PubChem CID 158176020) has the molecular formula C24H49NO6 and a molecular weight of 447.66 g/mol. Its IUPAC name is 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one.

Molecular Properties

Compound Name6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one
PubChem CID158176020
Molecular FormulaC24H49NO6
Molecular Weight447.66 g/mol
Exact Mass447.36
IUPAC Name6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one
SMILESCC(C)C(=O)C(O)CCN.CCCC(O)C(=O)C(C)C.CCCCC(O)C(=O)C(C)C
InChIInChI=1S/C9H18O2.C8H16O2.C7H15NO2/c1-4-5-6-8(10)9(11)7(2)3;1-4-5-7(9)8(10)6(2)3;1-5(2)7(10)6(9)3-4-8/h7-8,10H,4-6H2,1-3H3;6-7,9H,4-5H2,1-3H3;5-6,9H,3-4,8H2,1-2H3
InChIKeyFXZWQBWLEUTTEM-UHFFFAOYSA-N
XLogP3.06
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.66
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-amino-4-hydroxy-2-methylheptan-3-one;1-amino-2-hydroxy-4-methylpentan-3-one;4-hydroxy-2-methylheptan-3-one;methane
CID 158878655
butyl 4-amino-2-hydroxybutanoate
CID 107837486
4-butyl-2-methyloctan-3-one
CID 171426152
3-methylheptan-1-amine;propan-2-one
CID 145353822
4-amino-2-methyloctan-3-one;methanamine
CID 167521180
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
(2R)-2-hydroxyhexanoic acid
CID 6995511
4-butyl-2-methyldecan-3-one
CID 130218662
(2S)-1-(2-aminoethylamino)-2-hydroxy-4-methylpentan-3-one
CID 89424554
ethyl 2-(2-methylpropanoyl)hexanoate
CID 13421742
ethane;2-hydroxyhexanoic acid
CID 20976061

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one?
The IUPAC name of 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one (CID 158176020) is 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one.
What is the SMILES notation for 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one?
The canonical SMILES for 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one is CC(C)C(=O)C(O)CCN.CCCC(O)C(=O)C(C)C.CCCCC(O)C(=O)C(C)C.
What is the InChIKey of 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one?
The InChIKey is FXZWQBWLEUTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C8H16O2.C7H15NO2/c1-4-5-6-8(10)9(11)7(2)3;1-4-5-7(9)8(10)6(2)3;1-5(2)7(10)6(9)3-4-8/h7-8,10H,4-6H2,1-3H3;6-7,9H,4-5H2,1-3H3;5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one?
6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one has a molecular weight of 447.66 g/mol, XLogP of 3.06, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-hydroxy-2-methylhexan-3-one;4-hydroxy-2-methylheptan-3-one;4-hydroxy-2-methyloctan-3-one is sourced from PubChem (CID 158176020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).