5-hydroxy-2,2-dimethylnonan-3-one

C11H22O2 — CID 13301168

IUPAC5-hydroxy-2,2-dimethylnonan-3-one
SMILESCCCCC(O)CC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-5-6-7-9(12)8-10(13)11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyBFUBNNDTQHIHHB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.54
Rot. Bonds5

About 5-hydroxy-2,2-dimethylnonan-3-one

5-hydroxy-2,2-dimethylnonan-3-one (PubChem CID 13301168) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethylnonan-3-one.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethylnonan-3-one
PubChem CID13301168
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-hydroxy-2,2-dimethylnonan-3-one
SMILESCCCCC(O)CC(=O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-5-6-7-9(12)8-10(13)11(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyBFUBNNDTQHIHHB-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)-2-octanone
CID 62148
Esp-31015
CID 9925917
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
Cyclopentanone, 2-(1-hydroxypentyl)-
CID 162060
1,12-Dihydroxy-2,2,11,11-tetramethyldodecan-6-one
CID 11208035
1,17-Dihydroxy-2,2,16,16-tetramethylheptadecan-9-one
CID 11290828
1,14-Dihydroxy-2,2,13,13-tetramethyltetradecan-7-one
CID 11381060
8-Oxo-2,2,14,14-tetramethylpentadecane-1,15-diol
CID 11738551
6-Undecanone, 1,11-dihydroxy-2,2,10,10-tetramethyl-
CID 9899878
2-Octanone, 4-hydroxy-
CID 11073549
4-Hydroxy-6-methyl-2-heptanone
CID 11851026
3-Hydroxy-2,2-dimethyltridecan-4-one
CID 57394972

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-dimethylnonan-3-one?
The IUPAC name of 5-hydroxy-2,2-dimethylnonan-3-one (CID 13301168) is 5-hydroxy-2,2-dimethylnonan-3-one.
What is the SMILES notation for 5-hydroxy-2,2-dimethylnonan-3-one?
The canonical SMILES for 5-hydroxy-2,2-dimethylnonan-3-one is CCCCC(O)CC(=O)C(C)(C)C.
What is the InChIKey of 5-hydroxy-2,2-dimethylnonan-3-one?
The InChIKey is BFUBNNDTQHIHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-6-7-9(12)8-10(13)11(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 5-hydroxy-2,2-dimethylnonan-3-one?
5-hydroxy-2,2-dimethylnonan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethylnonan-3-one is sourced from PubChem (CID 13301168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).