12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one

C18H29NO2 — CID 45378269

IUPAC12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
SMILESCCCCCC(=O)CCCCCCc1ccc(O)c(C)n1
InChIInChI=1S/C18H29NO2/c1-3-4-7-11-17(20)12-9-6-5-8-10-16-13-14-18(21)15(2)19-16/h13-14,21H,3-12H2,1-2H3
InChIKeyPNDONWACGNWBOR-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.74
Rot. Bonds11

About 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one

12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one (PubChem CID 45378269) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one.

Molecular Properties

Compound Name12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
PubChem CID45378269
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one
SMILESCCCCCC(=O)CCCCCCc1ccc(O)c(C)n1
InChIInChI=1S/C18H29NO2/c1-3-4-7-11-17(20)12-9-6-5-8-10-16-13-14-18(21)15(2)19-16/h13-14,21H,3-12H2,1-2H3
InChIKeyPNDONWACGNWBOR-UHFFFAOYSA-N
XLogP4.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
The IUPAC name of 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one (CID 45378269) is 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one.
What is the SMILES notation for 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
The canonical SMILES for 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one is CCCCCC(=O)CCCCCCc1ccc(O)c(C)n1.
What is the InChIKey of 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
The InChIKey is PNDONWACGNWBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-7-11-17(20)12-9-6-5-8-10-16-13-14-18(21)15(2)19-16/h13-14,21H,3-12H2,1-2H3.
What are the key properties of 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one?
12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one has a molecular weight of 291.44 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecan-6-one is sourced from PubChem (CID 45378269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).