1-hydroxy-8-methylnonan-4-one

C10H20O2 — CID 87402189

IUPAC1-hydroxy-8-methylnonan-4-one
SMILESCC(C)CCCC(=O)CCCO
InChIInChI=1S/C10H20O2/c1-9(2)5-3-6-10(12)7-4-8-11/h9,11H,3-8H2,1-2H3
InChIKeyOZUXIFCCBBXSCK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds7

About 1-hydroxy-8-methylnonan-4-one

1-hydroxy-8-methylnonan-4-one (PubChem CID 87402189) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroxy-8-methylnonan-4-one.

Molecular Properties

Compound Name1-hydroxy-8-methylnonan-4-one
PubChem CID87402189
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-hydroxy-8-methylnonan-4-one
SMILESCC(C)CCCC(=O)CCCO
InChIInChI=1S/C10H20O2/c1-9(2)5-3-6-10(12)7-4-8-11/h9,11H,3-8H2,1-2H3
InChIKeyOZUXIFCCBBXSCK-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

2,16-dimethylheptadecan-6-one
CID 158111781
2-methylundecan-6-one
CID 86122551
5-methylhexanoic acid;4-methylpentan-1-ol
CID 87646285
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
ethane;7-methyloctan-3-one
CID 142816942
35-methylhexatriacontan-18-one
CID 154265958
14-methylpentadecane-2,8-dione
CID 159096890
2,10-dihydroxyundecan-6-one
CID 56979503
1-bromo-7-methyloctan-4-one
CID 106798810
1,8-dihydroxyhexacosan-4-one
CID 141328013
8-methylnon-1-en-4-one
CID 116659508
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-methylnonan-4-one?
The IUPAC name of 1-hydroxy-8-methylnonan-4-one (CID 87402189) is 1-hydroxy-8-methylnonan-4-one.
What is the SMILES notation for 1-hydroxy-8-methylnonan-4-one?
The canonical SMILES for 1-hydroxy-8-methylnonan-4-one is CC(C)CCCC(=O)CCCO.
What is the InChIKey of 1-hydroxy-8-methylnonan-4-one?
The InChIKey is OZUXIFCCBBXSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-3-6-10(12)7-4-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-hydroxy-8-methylnonan-4-one?
1-hydroxy-8-methylnonan-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 1-hydroxy-8-methylnonan-4-one is sourced from PubChem (CID 87402189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).