6-hydroxy-2,6-dimethylnonanoate

C11H21O3- — CID 59271392

IUPAC6-hydroxy-2,6-dimethylnonanoate
SMILESCCCC(C)(O)CCCC(C)C(=O)[O-]
InChIInChI=1S/C11H22O3/c1-4-7-11(3,14)8-5-6-9(2)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13)/p-1
InChIKeyRUDWPCFQGLOMPH-UHFFFAOYSA-M
MW201.29 g/mol
LogP1.09
Rot. Bonds7

About 6-hydroxy-2,6-dimethylnonanoate

6-hydroxy-2,6-dimethylnonanoate (PubChem CID 59271392) has the molecular formula C11H21O3- and a molecular weight of 201.29 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethylnonanoate.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethylnonanoate
PubChem CID59271392
Molecular FormulaC11H21O3-
Molecular Weight201.29 g/mol
Exact Mass201.15
IUPAC Name6-hydroxy-2,6-dimethylnonanoate
SMILESCCCC(C)(O)CCCC(C)C(=O)[O-]
InChIInChI=1S/C11H22O3/c1-4-7-11(3,14)8-5-6-9(2)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13)/p-1
InChIKeyRUDWPCFQGLOMPH-UHFFFAOYSA-M
XLogP1.09
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,10-dihydroxy-2,6,10-trimethylpentadecanoate
CID 59229283
6-hydroxy-2,6-dimethyloctanoate
CID 59271296
6-hydroxy-2,6,10-trimethylpentadecanoate
CID 59229455
(E)-6-hydroxy-2,6,10-trimethyltridec-10-enoate
CID 59229241
(2R)-2-methylhexanoate
CID 6999857
copper bis(2-methylhexanoate)
CID 19768945
magnesium bis(2-methylnonanoate)
CID 175226104
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylpentanoate)
CID 140813982
6-azaniumyl-2-methylhexanoate
CID 58988616
6-hydroxy-6-methylnonan-2-one
CID 90772739
(2R)-4-azaniumyl-2-methylbutanoate
CID 6954860

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethylnonanoate?
The IUPAC name of 6-hydroxy-2,6-dimethylnonanoate (CID 59271392) is 6-hydroxy-2,6-dimethylnonanoate.
What is the SMILES notation for 6-hydroxy-2,6-dimethylnonanoate?
The canonical SMILES for 6-hydroxy-2,6-dimethylnonanoate is CCCC(C)(O)CCCC(C)C(=O)[O-].
What is the InChIKey of 6-hydroxy-2,6-dimethylnonanoate?
The InChIKey is RUDWPCFQGLOMPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22O3/c1-4-7-11(3,14)8-5-6-9(2)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13)/p-1.
What are the key properties of 6-hydroxy-2,6-dimethylnonanoate?
6-hydroxy-2,6-dimethylnonanoate has a molecular weight of 201.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6-dimethylnonanoate is sourced from PubChem (CID 59271392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).