5-hydroxy-5,6-dimethylheptan-3-one

C9H18O2 — CID 134924027

IUPAC5-hydroxy-5,6-dimethylheptan-3-one
SMILESCCC(=O)CC(C)(O)C(C)C
InChIInChI=1S/C9H18O2/c1-5-8(10)6-9(4,11)7(2)3/h7,11H,5-6H2,1-4H3
InChIKeyLPIWOLCXARWMFN-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.76
Rot. Bonds4

About 5-hydroxy-5,6-dimethylheptan-3-one

5-hydroxy-5,6-dimethylheptan-3-one (PubChem CID 134924027) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-hydroxy-5,6-dimethylheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-5,6-dimethylheptan-3-one
PubChem CID134924027
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name5-hydroxy-5,6-dimethylheptan-3-one
SMILESCCC(=O)CC(C)(O)C(C)C
InChIInChI=1S/C9H18O2/c1-5-8(10)6-9(4,11)7(2)3/h7,11H,5-6H2,1-4H3
InChIKeyLPIWOLCXARWMFN-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dihydroxyhexan-3-one
CID 57119015
5-hydroxy-2,2,5,6-tetramethylheptan-3-one
CID 134924643
5-hydroxy-5-methyloctan-3-one
CID 87431906
5-amino-5-methylheptan-3-one
CID 21330457
2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
CID 114495170
5-[tert-butyl(dimethyl)germyl]hexan-3-one
CID 101264597
(5R)-5-hydroxy-5,6-dimethylheptan-2-one
CID 14824861
5-methyl-5-[(E)-5-methylhex-3-en-2-yl]oxyhexan-3-one
CID 11345163
2-hydroxy-2-(2-oxobutyl)butanedioic acid
CID 122595284
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
5-methylnonane-3,7-dione
CID 58421184
2-(2-methyl-4-oxohexan-2-yl)oxypropan-2-yl propanoate
CID 58639758

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5,6-dimethylheptan-3-one?
The IUPAC name of 5-hydroxy-5,6-dimethylheptan-3-one (CID 134924027) is 5-hydroxy-5,6-dimethylheptan-3-one.
What is the SMILES notation for 5-hydroxy-5,6-dimethylheptan-3-one?
The canonical SMILES for 5-hydroxy-5,6-dimethylheptan-3-one is CCC(=O)CC(C)(O)C(C)C.
What is the InChIKey of 5-hydroxy-5,6-dimethylheptan-3-one?
The InChIKey is LPIWOLCXARWMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8(10)6-9(4,11)7(2)3/h7,11H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-5,6-dimethylheptan-3-one?
5-hydroxy-5,6-dimethylheptan-3-one has a molecular weight of 158.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5,6-dimethylheptan-3-one is sourced from PubChem (CID 134924027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).