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

C11H22O3 — CID 58488534

IUPAC3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
SMILESCC(C)(C)C(O)C(=O)C(O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h8-9,13-14H,1-6H3
InChIKeyMVOCRHRXPAMPAE-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.37
Rot. Bonds2

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

3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one (PubChem CID 58488534) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
PubChem CID58488534
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
SMILESCC(C)(C)C(O)C(=O)C(O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h8-9,13-14H,1-6H3
InChIKeyMVOCRHRXPAMPAE-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

3,4,6,7-tetrahydroxy-2,2,3,7,8,8-hexamethylnonan-5-one
CID 87681486
4-hydroxy-5,5-dimethylhexan-3-one
CID 12692178
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
5-hydroxy-6,6-dimethylhept-1-yn-4-one
CID 103456164
(E,3R)-3-hydroxy-2,2-dimethyloct-5-en-4-one
CID 124705258
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
5-tert-butyl-3,7-diethylnonane-4,6-dione
CID 19371353
3-hydroxy-2,2-dimethylundecan-4-one
CID 103456168
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
CID 139777185
2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
CID 150831609
(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one
CID 131860482

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
The IUPAC name of 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one (CID 58488534) is 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one.
What is the SMILES notation for 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
The canonical SMILES for 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one is CC(C)(C)C(O)C(=O)C(O)C(C)(C)C.
What is the InChIKey of 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
The InChIKey is MVOCRHRXPAMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h8-9,13-14H,1-6H3.
What are the key properties of 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one has a molecular weight of 202.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one is sourced from PubChem (CID 58488534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).