5-hydroxy-2,2,5,6-tetramethylheptan-3-one

C11H22O2 — CID 134924643

IUPAC5-hydroxy-2,2,5,6-tetramethylheptan-3-one
SMILESCC(C)C(C)(O)CC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(2)11(6,13)7-9(12)10(3,4)5/h8,13H,7H2,1-6H3
InChIKeyVFNRNKBCWGMSSZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.40
Rot. Bonds3

About 5-hydroxy-2,2,5,6-tetramethylheptan-3-one

5-hydroxy-2,2,5,6-tetramethylheptan-3-one (PubChem CID 134924643) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-hydroxy-2,2,5,6-tetramethylheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-2,2,5,6-tetramethylheptan-3-one
PubChem CID134924643
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-hydroxy-2,2,5,6-tetramethylheptan-3-one
SMILESCC(C)C(C)(O)CC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(2)11(6,13)7-9(12)10(3,4)5/h8,13H,7H2,1-6H3
InChIKeyVFNRNKBCWGMSSZ-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-5,6-dimethylheptan-3-one
CID 134924027
6-hydroxy-2,2,5,5-tetramethylheptan-3-one
CID 129106524
(2R)-2-hydroxy-2,5,5-trimethyl-4-oxohexanoic acid
CID 97161827
7-(dimethylamino)-2,2,5,5,7,8-hexamethylnonan-3-one
CID 144923791
(5R)-5-hydroxy-5,6-dimethylheptan-2-one
CID 14824861
5-iodo-2,2-dimethylhexan-3-one
CID 22934221
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
[(2,2,5,8,8-pentamethyl-3,7-dioxononan-5-yl)amino] 2-methylpropanoate
CID 11012860
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
3,6,6-trimethylheptane-2,5-dione
CID 58992313
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,5,6-tetramethylheptan-3-one?
The IUPAC name of 5-hydroxy-2,2,5,6-tetramethylheptan-3-one (CID 134924643) is 5-hydroxy-2,2,5,6-tetramethylheptan-3-one.
What is the SMILES notation for 5-hydroxy-2,2,5,6-tetramethylheptan-3-one?
The canonical SMILES for 5-hydroxy-2,2,5,6-tetramethylheptan-3-one is CC(C)C(C)(O)CC(=O)C(C)(C)C.
What is the InChIKey of 5-hydroxy-2,2,5,6-tetramethylheptan-3-one?
The InChIKey is VFNRNKBCWGMSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)11(6,13)7-9(12)10(3,4)5/h8,13H,7H2,1-6H3.
What are the key properties of 5-hydroxy-2,2,5,6-tetramethylheptan-3-one?
5-hydroxy-2,2,5,6-tetramethylheptan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,5,6-tetramethylheptan-3-one is sourced from PubChem (CID 134924643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).