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

C11H22O2 — CID 10976210

IUPAC5-hydroxy-2,2,6,6-tetramethylheptan-3-one
SMILESCC(C)(C)C(=O)CC(O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8,12H,7H2,1-6H3
InChIKeyRCCXZJRKQOWRTP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.40
Rot. Bonds2

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

5-hydroxy-2,2,6,6-tetramethylheptan-3-one (PubChem CID 10976210) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-hydroxy-2,2,6,6-tetramethylheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-2,2,6,6-tetramethylheptan-3-one
PubChem CID10976210
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-hydroxy-2,2,6,6-tetramethylheptan-3-one
SMILESCC(C)(C)C(=O)CC(O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8,12H,7H2,1-6H3
InChIKeyRCCXZJRKQOWRTP-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,6,6-tetramethylheptan-3-one?
The IUPAC name of 5-hydroxy-2,2,6,6-tetramethylheptan-3-one (CID 10976210) is 5-hydroxy-2,2,6,6-tetramethylheptan-3-one.
What is the SMILES notation for 5-hydroxy-2,2,6,6-tetramethylheptan-3-one?
The canonical SMILES for 5-hydroxy-2,2,6,6-tetramethylheptan-3-one is CC(C)(C)C(=O)CC(O)C(C)(C)C.
What is the InChIKey of 5-hydroxy-2,2,6,6-tetramethylheptan-3-one?
The InChIKey is RCCXZJRKQOWRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h8,12H,7H2,1-6H3.
What are the key properties of 5-hydroxy-2,2,6,6-tetramethylheptan-3-one?
5-hydroxy-2,2,6,6-tetramethylheptan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,6,6-tetramethylheptan-3-one is sourced from PubChem (CID 10976210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).