1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one

C13H22N2O2 — CID 10988338

IUPAC1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one
SMILESCOCn1cc(C(=O)CCC(C)(C)C)nc1C
InChIInChI=1S/C13H22N2O2/c1-10-14-11(8-15(10)9-17-5)12(16)6-7-13(2,3)4/h8H,6-7,9H2,1-5H3
InChIKeyQRFSQSXULOIYQQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds5

About 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one

1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one (PubChem CID 10988338) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one
PubChem CID10988338
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one
SMILESCOCn1cc(C(=O)CCC(C)(C)C)nc1C
InChIInChI=1S/C13H22N2O2/c1-10-14-11(8-15(10)9-17-5)12(16)6-7-13(2,3)4/h8H,6-7,9H2,1-5H3
InChIKeyQRFSQSXULOIYQQ-UHFFFAOYSA-N
XLogP2.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one (CID 10988338) is 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one is COCn1cc(C(=O)CCC(C)(C)C)nc1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one?
The InChIKey is QRFSQSXULOIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-14-11(8-15(10)9-17-5)12(16)6-7-13(2,3)4/h8H,6-7,9H2,1-5H3.
What are the key properties of 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one?
1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one is sourced from PubChem (CID 10988338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).