2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one

C10H20O3 — CID 123536335

IUPAC2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one
SMILESCC(C)OCCCC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-8(2)13-7-5-6-9(11)10(3,4)12/h8,12H,5-7H2,1-4H3
InChIKeyKOKFEESLYLNCEM-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.53
Rot. Bonds6

About 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one

2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one (PubChem CID 123536335) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one
PubChem CID123536335
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one
SMILESCC(C)OCCCC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3/c1-8(2)13-7-5-6-9(11)10(3,4)12/h8,12H,5-7H2,1-4H3
InChIKeyKOKFEESLYLNCEM-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,8,8-Tetramethyl-1,7-dioxacyclododecane-3,9-dione
CID 134465364
5-Hydroxy-1-methoxy-5-methylhexan-2-one
CID 79417339
1,5-Dimethoxy-5-methylhexan-2-one
CID 103024440
1-Ethoxy-5-methoxy-5-methylhexan-2-one
CID 103024514
5-Methoxy-5-methyl-1-propan-2-yloxyhexan-2-one
CID 103024618
5-Methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-one
CID 103024679
5-Methoxy-5-methyl-1-propoxyhexan-2-one
CID 103035307
2-Ethoxy-6-methoxy-6-methylheptan-3-one
CID 103035323
2-Hydroxy-6-methoxy-2-methylhexan-3-one
CID 103446023
2-Hydroxy-6-methoxy-2,6-dimethylheptan-3-one
CID 103446026
2-Hydroxy-2-methyl-1-(oxan-4-yl)propan-1-one
CID 103446079
2-Hydroxy-6-methoxy-2,4-dimethylhexan-3-one
CID 103446267

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one?
The IUPAC name of 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one (CID 123536335) is 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one.
What is the SMILES notation for 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one?
The canonical SMILES for 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one is CC(C)OCCCC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one?
The InChIKey is KOKFEESLYLNCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)13-7-5-6-9(11)10(3,4)12/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one?
2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one has a molecular weight of 188.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-6-propan-2-yloxyhexan-3-one is sourced from PubChem (CID 123536335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).