2-hydroxy-4,7-dimethyloctan-3-one

C10H20O2 — CID 90857215

IUPAC2-hydroxy-4,7-dimethyloctan-3-one
SMILESCC(C)CCC(C)C(=O)C(C)O
InChIInChI=1S/C10H20O2/c1-7(2)5-6-8(3)10(12)9(4)11/h7-9,11H,5-6H2,1-4H3
InChIKeyCDOCYRSCSXDHDA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.01
Rot. Bonds5

About 2-hydroxy-4,7-dimethyloctan-3-one

2-hydroxy-4,7-dimethyloctan-3-one (PubChem CID 90857215) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-hydroxy-4,7-dimethyloctan-3-one.

Molecular Properties

Compound Name2-hydroxy-4,7-dimethyloctan-3-one
PubChem CID90857215
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-hydroxy-4,7-dimethyloctan-3-one
SMILESCC(C)CCC(C)C(=O)C(C)O
InChIInChI=1S/C10H20O2/c1-7(2)5-6-8(3)10(12)9(4)11/h7-9,11H,5-6H2,1-4H3
InChIKeyCDOCYRSCSXDHDA-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
N,2,5-trimethylhexanamide
CID 78065622
6-methylheptane-2,3-diol
CID 57080591
8-hydroxy-2,11-dimethyldodecan-5-one
CID 54387052
(6S)-4,6-dimethylnonan-5-one
CID 177467625
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2-methylpentanoyl 2,5-dimethylhexanoate
CID 174916837
bis(5-methyl-2-propylhexyl) 2,5-dimethylhexanedioate
CID 138680198
4-fluoro-2,7-dimethyloctan-3-one
CID 176842695
6-hydroxy-2,9-dimethyldecan-5-one
CID 44721103
2,9-dimethyldecanoic acid
CID 22251838
2,11-dimethyldodecanoic acid
CID 22251841

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,7-dimethyloctan-3-one?
The IUPAC name of 2-hydroxy-4,7-dimethyloctan-3-one (CID 90857215) is 2-hydroxy-4,7-dimethyloctan-3-one.
What is the SMILES notation for 2-hydroxy-4,7-dimethyloctan-3-one?
The canonical SMILES for 2-hydroxy-4,7-dimethyloctan-3-one is CC(C)CCC(C)C(=O)C(C)O.
What is the InChIKey of 2-hydroxy-4,7-dimethyloctan-3-one?
The InChIKey is CDOCYRSCSXDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)5-6-8(3)10(12)9(4)11/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2-hydroxy-4,7-dimethyloctan-3-one?
2-hydroxy-4,7-dimethyloctan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,7-dimethyloctan-3-one is sourced from PubChem (CID 90857215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).