6-(hydroxymethyl)nonan-4-one

C10H20O2 — CID 57221241

IUPAC6-(hydroxymethyl)nonan-4-one
SMILESCCCC(=O)CC(CO)CCC
InChIInChI=1S/C10H20O2/c1-3-5-9(8-11)7-10(12)6-4-2/h9,11H,3-8H2,1-2H3
InChIKeyTWTKCFTWTQPQKR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds7

About 6-(hydroxymethyl)nonan-4-one

6-(hydroxymethyl)nonan-4-one (PubChem CID 57221241) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-(hydroxymethyl)nonan-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)nonan-4-one
PubChem CID57221241
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-(hydroxymethyl)nonan-4-one
SMILESCCCC(=O)CC(CO)CCC
InChIInChI=1S/C10H20O2/c1-3-5-9(8-11)7-10(12)6-4-2/h9,11H,3-8H2,1-2H3
InChIKeyTWTKCFTWTQPQKR-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-2-octanone
CID 62148
3-(Hydroxymethyl)-2-heptanone
CID 5362561
Serricornin
CID 194454
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
6-Dodecanone, 5,8-diethyl-7-hydroxy-
CID 169366
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
6-Hydroxy-3,7-dimethyloctanoic acid
CID 23422948
2-(3-Hydroxypropyl)cyclododecanone
CID 10130987
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
3-Hydroxy-2-methyltridecan-4-one
CID 57398496
8-Acetyl-12-hydroxydodecanoic acid
CID 71400118
6-Undecanone, 1,11-dihydroxy-2,2,10,10-tetramethyl-
CID 9899878

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)nonan-4-one?
The IUPAC name of 6-(hydroxymethyl)nonan-4-one (CID 57221241) is 6-(hydroxymethyl)nonan-4-one.
What is the SMILES notation for 6-(hydroxymethyl)nonan-4-one?
The canonical SMILES for 6-(hydroxymethyl)nonan-4-one is CCCC(=O)CC(CO)CCC.
What is the InChIKey of 6-(hydroxymethyl)nonan-4-one?
The InChIKey is TWTKCFTWTQPQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-9(8-11)7-10(12)6-4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)nonan-4-one?
6-(hydroxymethyl)nonan-4-one has a molecular weight of 172.27 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)nonan-4-one is sourced from PubChem (CID 57221241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).