3-hydroxy-2,2-dimethylundecan-4-one

C13H26O2 — CID 103456168

IUPAC3-hydroxy-2,2-dimethylundecan-4-one
SMILESCCCCCCCC(=O)C(O)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10-11(14)12(15)13(2,3)4/h12,15H,5-10H2,1-4H3
InChIKeyVAOVRXNGCZOZDN-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.32
Rot. Bonds7

About 3-hydroxy-2,2-dimethylundecan-4-one

3-hydroxy-2,2-dimethylundecan-4-one (PubChem CID 103456168) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylundecan-4-one.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylundecan-4-one
PubChem CID103456168
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-hydroxy-2,2-dimethylundecan-4-one
SMILESCCCCCCCC(=O)C(O)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-6-7-8-9-10-11(14)12(15)13(2,3)4/h12,15H,5-10H2,1-4H3
InChIKeyVAOVRXNGCZOZDN-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-hydroxy-2,2,4-trimethyldecan-5-one
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16-dodecanoyl-15,16,17-trihydroxyhentriacontane-14,18-dione
CID 18510098
3-hydroxy-2,2-dimethyl-4-oxononanal
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2-hydroxyicosan-3-one
CID 57023276
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
hexyl 2-hydroxy-3,3-dimethylbutanoate
CID 174403415
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
15-hydroxyoctacosan-14-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylundecan-4-one?
The IUPAC name of 3-hydroxy-2,2-dimethylundecan-4-one (CID 103456168) is 3-hydroxy-2,2-dimethylundecan-4-one.
What is the SMILES notation for 3-hydroxy-2,2-dimethylundecan-4-one?
The canonical SMILES for 3-hydroxy-2,2-dimethylundecan-4-one is CCCCCCCC(=O)C(O)C(C)(C)C.
What is the InChIKey of 3-hydroxy-2,2-dimethylundecan-4-one?
The InChIKey is VAOVRXNGCZOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-6-7-8-9-10-11(14)12(15)13(2,3)4/h12,15H,5-10H2,1-4H3.
What are the key properties of 3-hydroxy-2,2-dimethylundecan-4-one?
3-hydroxy-2,2-dimethylundecan-4-one has a molecular weight of 214.35 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethylundecan-4-one is sourced from PubChem (CID 103456168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).