12-pyridin-2-yloxydodecyl acetate

C19H31NO3 — CID 70684250

IUPAC12-pyridin-2-yloxydodecyl acetate
SMILESCC(=O)OCCCCCCCCCCCCOc1ccccn1
InChIInChI=1S/C19H31NO3/c1-18(21)22-16-12-8-6-4-2-3-5-7-9-13-17-23-19-14-10-11-15-20-19/h10-11,14-15H,2-9,12-13,16-17H2,1H3
InChIKeyDUMCCWNCVQBSKA-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.92
Rot. Bonds14

About 12-pyridin-2-yloxydodecyl acetate

12-pyridin-2-yloxydodecyl acetate (PubChem CID 70684250) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 12-pyridin-2-yloxydodecyl acetate.

Molecular Properties

Compound Name12-pyridin-2-yloxydodecyl acetate
PubChem CID70684250
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name12-pyridin-2-yloxydodecyl acetate
SMILESCC(=O)OCCCCCCCCCCCCOc1ccccn1
InChIInChI=1S/C19H31NO3/c1-18(21)22-16-12-8-6-4-2-3-5-7-9-13-17-23-19-14-10-11-15-20-19/h10-11,14-15H,2-9,12-13,16-17H2,1H3
InChIKeyDUMCCWNCVQBSKA-UHFFFAOYSA-N
XLogP4.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-pyridin-2-yloxydodecyl acetate?
The IUPAC name of 12-pyridin-2-yloxydodecyl acetate (CID 70684250) is 12-pyridin-2-yloxydodecyl acetate.
What is the SMILES notation for 12-pyridin-2-yloxydodecyl acetate?
The canonical SMILES for 12-pyridin-2-yloxydodecyl acetate is CC(=O)OCCCCCCCCCCCCOc1ccccn1.
What is the InChIKey of 12-pyridin-2-yloxydodecyl acetate?
The InChIKey is DUMCCWNCVQBSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-18(21)22-16-12-8-6-4-2-3-5-7-9-13-17-23-19-14-10-11-15-20-19/h10-11,14-15H,2-9,12-13,16-17H2,1H3.
What are the key properties of 12-pyridin-2-yloxydodecyl acetate?
12-pyridin-2-yloxydodecyl acetate has a molecular weight of 321.46 g/mol, XLogP of 4.92, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-2-yloxydodecyl acetate is sourced from PubChem (CID 70684250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).