2-(3,7-dimethyloct-6-enoxy)pyrimidine

C14H22N2O — CID 139618937

IUPAC2-(3,7-dimethyloct-6-enoxy)pyrimidine
SMILESCC(C)=CCCC(C)CCOc1ncccn1
InChIInChI=1S/C14H22N2O/c1-12(2)6-4-7-13(3)8-11-17-14-15-9-5-10-16-14/h5-6,9-10,13H,4,7-8,11H2,1-3H3
InChIKeyIKBSUYMHNNNRCZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.63
Rot. Bonds7

About 2-(3,7-dimethyloct-6-enoxy)pyrimidine

2-(3,7-dimethyloct-6-enoxy)pyrimidine (PubChem CID 139618937) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-6-enoxy)pyrimidine.

Molecular Properties

Compound Name2-(3,7-dimethyloct-6-enoxy)pyrimidine
PubChem CID139618937
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,7-dimethyloct-6-enoxy)pyrimidine
SMILESCC(C)=CCCC(C)CCOc1ncccn1
InChIInChI=1S/C14H22N2O/c1-12(2)6-4-7-13(3)8-11-17-14-15-9-5-10-16-14/h5-6,9-10,13H,4,7-8,11H2,1-3H3
InChIKeyIKBSUYMHNNNRCZ-UHFFFAOYSA-N
XLogP3.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-6-enoxy)pyrimidine?
The IUPAC name of 2-(3,7-dimethyloct-6-enoxy)pyrimidine (CID 139618937) is 2-(3,7-dimethyloct-6-enoxy)pyrimidine.
What is the SMILES notation for 2-(3,7-dimethyloct-6-enoxy)pyrimidine?
The canonical SMILES for 2-(3,7-dimethyloct-6-enoxy)pyrimidine is CC(C)=CCCC(C)CCOc1ncccn1.
What is the InChIKey of 2-(3,7-dimethyloct-6-enoxy)pyrimidine?
The InChIKey is IKBSUYMHNNNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(2)6-4-7-13(3)8-11-17-14-15-9-5-10-16-14/h5-6,9-10,13H,4,7-8,11H2,1-3H3.
What are the key properties of 2-(3,7-dimethyloct-6-enoxy)pyrimidine?
2-(3,7-dimethyloct-6-enoxy)pyrimidine has a molecular weight of 234.34 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-6-enoxy)pyrimidine is sourced from PubChem (CID 139618937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).