6-methoxy-5-methylheptan-3-one;pyridine

C14H23NO2 — CID 54120596

IUPAC6-methoxy-5-methylheptan-3-one;pyridine
SMILESCCC(=O)CC(C)C(C)OC.c1ccncc1
InChIInChI=1S/C9H18O2.C5H5N/c1-5-9(10)6-7(2)8(3)11-4;1-2-4-6-5-3-1/h7-8H,5-6H2,1-4H3;1-5H
InChIKeyNNKPNOHWRYXKMI-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.11
Rot. Bonds5

About 6-methoxy-5-methylheptan-3-one;pyridine

6-methoxy-5-methylheptan-3-one;pyridine (PubChem CID 54120596) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-methoxy-5-methylheptan-3-one;pyridine.

Molecular Properties

Compound Name6-methoxy-5-methylheptan-3-one;pyridine
PubChem CID54120596
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-methoxy-5-methylheptan-3-one;pyridine
SMILESCCC(=O)CC(C)C(C)OC.c1ccncc1
InChIInChI=1S/C9H18O2.C5H5N/c1-5-9(10)6-7(2)8(3)11-4;1-2-4-6-5-3-1/h7-8H,5-6H2,1-4H3;1-5H
InChIKeyNNKPNOHWRYXKMI-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methylheptan-3-one;pyridine?
The IUPAC name of 6-methoxy-5-methylheptan-3-one;pyridine (CID 54120596) is 6-methoxy-5-methylheptan-3-one;pyridine.
What is the SMILES notation for 6-methoxy-5-methylheptan-3-one;pyridine?
The canonical SMILES for 6-methoxy-5-methylheptan-3-one;pyridine is CCC(=O)CC(C)C(C)OC.c1ccncc1.
What is the InChIKey of 6-methoxy-5-methylheptan-3-one;pyridine?
The InChIKey is NNKPNOHWRYXKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C5H5N/c1-5-9(10)6-7(2)8(3)11-4;1-2-4-6-5-3-1/h7-8H,5-6H2,1-4H3;1-5H.
What are the key properties of 6-methoxy-5-methylheptan-3-one;pyridine?
6-methoxy-5-methylheptan-3-one;pyridine has a molecular weight of 237.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methylheptan-3-one;pyridine is sourced from PubChem (CID 54120596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).