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

C11H22O2 — CID 129106524

IUPAC6-hydroxy-2,2,5,5-tetramethylheptan-3-one
SMILESCC(O)C(C)(C)CC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(12)11(5,6)7-9(13)10(2,3)4/h8,12H,7H2,1-6H3
InChIKeyFCXICPMKDFTUMT-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.40
Rot. Bonds3

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

6-hydroxy-2,2,5,5-tetramethylheptan-3-one (PubChem CID 129106524) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 6-hydroxy-2,2,5,5-tetramethylheptan-3-one.

Molecular Properties

Compound Name6-hydroxy-2,2,5,5-tetramethylheptan-3-one
PubChem CID129106524
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name6-hydroxy-2,2,5,5-tetramethylheptan-3-one
SMILESCC(O)C(C)(C)CC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(12)11(5,6)7-9(13)10(2,3)4/h8,12H,7H2,1-6H3
InChIKeyFCXICPMKDFTUMT-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,5,5-tetramethylheptan-3-one?
The IUPAC name of 6-hydroxy-2,2,5,5-tetramethylheptan-3-one (CID 129106524) is 6-hydroxy-2,2,5,5-tetramethylheptan-3-one.
What is the SMILES notation for 6-hydroxy-2,2,5,5-tetramethylheptan-3-one?
The canonical SMILES for 6-hydroxy-2,2,5,5-tetramethylheptan-3-one is CC(O)C(C)(C)CC(=O)C(C)(C)C.
What is the InChIKey of 6-hydroxy-2,2,5,5-tetramethylheptan-3-one?
The InChIKey is FCXICPMKDFTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(12)11(5,6)7-9(13)10(2,3)4/h8,12H,7H2,1-6H3.
What are the key properties of 6-hydroxy-2,2,5,5-tetramethylheptan-3-one?
6-hydroxy-2,2,5,5-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 6-hydroxy-2,2,5,5-tetramethylheptan-3-one is sourced from PubChem (CID 129106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).