2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one

C11H22O3 — CID 150831609

IUPAC2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
SMILESCC(C(=O)C(C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C11H22O3/c1-7(10(3,4)13)9(12)8(2)11(5,6)14/h7-8,13-14H,1-6H3
InChIKeyKMBWTUYIRQKWEG-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.37
Rot. Bonds4

About 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one

2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one (PubChem CID 150831609) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one.

Molecular Properties

Compound Name2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
PubChem CID150831609
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
SMILESCC(C(=O)C(C)C(C)(C)O)C(C)(C)O
InChIInChI=1S/C11H22O3/c1-7(10(3,4)13)9(12)8(2)11(5,6)14/h7-8,13-14H,1-6H3
InChIKeyKMBWTUYIRQKWEG-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one?
The IUPAC name of 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one (CID 150831609) is 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one.
What is the SMILES notation for 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one?
The canonical SMILES for 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one is CC(C(=O)C(C)C(C)(C)O)C(C)(C)O.
What is the InChIKey of 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one?
The InChIKey is KMBWTUYIRQKWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-7(10(3,4)13)9(12)8(2)11(5,6)14/h7-8,13-14H,1-6H3.
What are the key properties of 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one?
2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one has a molecular weight of 202.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one is sourced from PubChem (CID 150831609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).