hexane;propan-2-one;pyridine

C14H25NO — CID 66842615

IUPAChexane;propan-2-one;pyridine
SMILESCC(C)=O.CCCCCC.c1ccncc1
InChIInChI=1S/C6H14.C5H5N.C3H6O/c1-3-5-6-4-2;1-2-4-6-5-3-1;1-3(2)4/h3-6H2,1-2H3;1-5H;1-2H3
InChIKeyGAQJCJXCEQDPLC-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.26
Rot. Bonds3

About hexane;propan-2-one;pyridine

hexane;propan-2-one;pyridine (PubChem CID 66842615) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is hexane;propan-2-one;pyridine.

Molecular Properties

Compound Namehexane;propan-2-one;pyridine
PubChem CID66842615
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namehexane;propan-2-one;pyridine
SMILESCC(C)=O.CCCCCC.c1ccncc1
InChIInChI=1S/C6H14.C5H5N.C3H6O/c1-3-5-6-4-2;1-2-4-6-5-3-1;1-3(2)4/h3-6H2,1-2H3;1-5H;1-2H3
InChIKeyGAQJCJXCEQDPLC-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptan-2-one;pyridine
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butane;pyridine
CID 66630740
ethane;bis(propan-2-one);pyridine;bis(pyrimidine)
CID 158052279
1-chlorooctane;pyridine
CID 19599073
CID 173387183
CID 173387183
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Frequently Asked Questions

What is the IUPAC name of hexane;propan-2-one;pyridine?
The IUPAC name of hexane;propan-2-one;pyridine (CID 66842615) is hexane;propan-2-one;pyridine.
What is the SMILES notation for hexane;propan-2-one;pyridine?
The canonical SMILES for hexane;propan-2-one;pyridine is CC(C)=O.CCCCCC.c1ccncc1.
What is the InChIKey of hexane;propan-2-one;pyridine?
The InChIKey is GAQJCJXCEQDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H5N.C3H6O/c1-3-5-6-4-2;1-2-4-6-5-3-1;1-3(2)4/h3-6H2,1-2H3;1-5H;1-2H3.
What are the key properties of hexane;propan-2-one;pyridine?
hexane;propan-2-one;pyridine has a molecular weight of 223.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;propan-2-one;pyridine is sourced from PubChem (CID 66842615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).