7-hydroxy-3,4,5,6-tetramethylheptan-2-one

C11H22O2 — CID 122674518

IUPAC7-hydroxy-3,4,5,6-tetramethylheptan-2-one
SMILESCC(=O)C(C)C(C)C(C)C(C)CO
InChIInChI=1S/C11H22O2/c1-7(6-12)8(2)9(3)10(4)11(5)13/h7-10,12H,6H2,1-5H3
InChIKeyQVVBAKHPOIBTMV-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.11
Rot. Bonds5

About 7-hydroxy-3,4,5,6-tetramethylheptan-2-one

7-hydroxy-3,4,5,6-tetramethylheptan-2-one (PubChem CID 122674518) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 7-hydroxy-3,4,5,6-tetramethylheptan-2-one.

Molecular Properties

Compound Name7-hydroxy-3,4,5,6-tetramethylheptan-2-one
PubChem CID122674518
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name7-hydroxy-3,4,5,6-tetramethylheptan-2-one
SMILESCC(=O)C(C)C(C)C(C)C(C)CO
InChIInChI=1S/C11H22O2/c1-7(6-12)8(2)9(3)10(4)11(5)13/h7-10,12H,6H2,1-5H3
InChIKeyQVVBAKHPOIBTMV-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trimethylheptan-2-one
CID 71402381
1-amino-2,3,4-trimethylpentane-1,5-diol
CID 142052298
benzoic acid;2,3,4,5-tetramethylhexane-1,6-diol
CID 174429381
3,4-dimethyl-5-oxohexanoic acid
CID 13348293
3,4-dimethylpentane-1,2,5-triol
CID 91805402
4-hydroxy-3-methylbutan-2-one;3-methylbut-3-en-2-one
CID 159336901
(3R)-2-methyl-3-sulfanylbutan-1-ol
CID 21355819
(2R,3S)-2-methyl-3-sulfanylbutan-1-ol
CID 10154043
3-(hydroxymethyl)pentane-2,4-dione
CID 21422016
(2S)-2-methyl-3-sulfanylbutan-1-ol
CID 59085195
3,4-dimethylpentan-2-one;sulfane
CID 158809949
2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4,5,6-tetramethylheptan-2-one?
The IUPAC name of 7-hydroxy-3,4,5,6-tetramethylheptan-2-one (CID 122674518) is 7-hydroxy-3,4,5,6-tetramethylheptan-2-one.
What is the SMILES notation for 7-hydroxy-3,4,5,6-tetramethylheptan-2-one?
The canonical SMILES for 7-hydroxy-3,4,5,6-tetramethylheptan-2-one is CC(=O)C(C)C(C)C(C)C(C)CO.
What is the InChIKey of 7-hydroxy-3,4,5,6-tetramethylheptan-2-one?
The InChIKey is QVVBAKHPOIBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7(6-12)8(2)9(3)10(4)11(5)13/h7-10,12H,6H2,1-5H3.
What are the key properties of 7-hydroxy-3,4,5,6-tetramethylheptan-2-one?
7-hydroxy-3,4,5,6-tetramethylheptan-2-one has a molecular weight of 186.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,4,5,6-tetramethylheptan-2-one is sourced from PubChem (CID 122674518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).