5-hydroxy-2,2-dimethyltetradecan-3-one

C16H32O2 — CID 24806529

IUPAC5-hydroxy-2,2-dimethyltetradecan-3-one
SMILESCCCCCCCCCC(O)CC(=O)C(C)(C)C
InChIInChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-14(17)13-15(18)16(2,3)4/h14,17H,5-13H2,1-4H3
InChIKeyAOWIWEPWKAJLKL-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.49
Rot. Bonds10

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

5-hydroxy-2,2-dimethyltetradecan-3-one (PubChem CID 24806529) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethyltetradecan-3-one.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethyltetradecan-3-one
PubChem CID24806529
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name5-hydroxy-2,2-dimethyltetradecan-3-one
SMILESCCCCCCCCCC(O)CC(=O)C(C)(C)C
InChIInChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-14(17)13-15(18)16(2,3)4/h14,17H,5-13H2,1-4H3
InChIKeyAOWIWEPWKAJLKL-UHFFFAOYSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.49
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

2,2,5-trimethylundecan-3-one
CID 177435027
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
5-fluoro-2,2-dimethyldecan-3-one
CID 22934364
(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione
CID 90394412
octadecane-8,11-diol
CID 101412726
3-hydroxyoctanoic acid
CID 159718411
11-hydroxynonadecan-9-one
CID 100944351
potassium 3-hydroxydodecanoate
CID 171061524
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
6-hydroxypentacosan-8-one
CID 131751819

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-dimethyltetradecan-3-one?
The IUPAC name of 5-hydroxy-2,2-dimethyltetradecan-3-one (CID 24806529) is 5-hydroxy-2,2-dimethyltetradecan-3-one.
What is the SMILES notation for 5-hydroxy-2,2-dimethyltetradecan-3-one?
The canonical SMILES for 5-hydroxy-2,2-dimethyltetradecan-3-one is CCCCCCCCCC(O)CC(=O)C(C)(C)C.
What is the InChIKey of 5-hydroxy-2,2-dimethyltetradecan-3-one?
The InChIKey is AOWIWEPWKAJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-14(17)13-15(18)16(2,3)4/h14,17H,5-13H2,1-4H3.
What are the key properties of 5-hydroxy-2,2-dimethyltetradecan-3-one?
5-hydroxy-2,2-dimethyltetradecan-3-one has a molecular weight of 256.43 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethyltetradecan-3-one is sourced from PubChem (CID 24806529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).