6-hydroxy-2-methylhexan-3-one

C7H14O2 — CID 10866367

IUPAC6-hydroxy-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCO
InChIInChI=1S/C7H14O2/c1-6(2)7(9)4-3-5-8/h6,8H,3-5H2,1-2H3
InChIKeyKNQRYKNELYRRAO-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.98
Rot. Bonds4

About 6-hydroxy-2-methylhexan-3-one

6-hydroxy-2-methylhexan-3-one (PubChem CID 10866367) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 6-hydroxy-2-methylhexan-3-one.

Molecular Properties

Compound Name6-hydroxy-2-methylhexan-3-one
PubChem CID10866367
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name6-hydroxy-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCO
InChIInChI=1S/C7H14O2/c1-6(2)7(9)4-3-5-8/h6,8H,3-5H2,1-2H3
InChIKeyKNQRYKNELYRRAO-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxymethyl-2-pentone
CID 523254
1-Cyclopropyl-4-hydroxybutan-1-one
CID 15726183
1-Hydroxy-5-methylhexan-3-one
CID 15546600
6-Hydroxyhexan-3-one
CID 13510025
2-Pentanone, 5-hydroxy-3-methyl-(8CI,9CI)
CID 12213589
5-Hydroxy-4-methylhexan-2-one
CID 19992620
5-(Hydroxymethyl)heptan-3-one
CID 57155571
6-Hydroxy-5-methyl-2-hexanone
CID 10877153
5-Fluoro-4,6-dihydroxy-2-methylhexan-3-one
CID 137531037
6-Hydroxy-4-(hydroxymethyl)hexan-2-one
CID 10012040
1-[(1S,2R)-2-(hydroxymethyl)cyclopropyl]ethanone
CID 102249907
6-Fluoro-3-(2-hydroxyethyl)hexan-2-one
CID 103343847

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylhexan-3-one?
The IUPAC name of 6-hydroxy-2-methylhexan-3-one (CID 10866367) is 6-hydroxy-2-methylhexan-3-one.
What is the SMILES notation for 6-hydroxy-2-methylhexan-3-one?
The canonical SMILES for 6-hydroxy-2-methylhexan-3-one is CC(C)C(=O)CCCO.
What is the InChIKey of 6-hydroxy-2-methylhexan-3-one?
The InChIKey is KNQRYKNELYRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)7(9)4-3-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 6-hydroxy-2-methylhexan-3-one?
6-hydroxy-2-methylhexan-3-one has a molecular weight of 130.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylhexan-3-one is sourced from PubChem (CID 10866367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).