1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one

C13H24O2 — CID 66919644

IUPAC1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one
SMILESCCCC(=O)C1(COC)C(C)CCC1C
InChIInChI=1S/C13H24O2/c1-5-6-12(14)13(9-15-4)10(2)7-8-11(13)3/h10-11H,5-9H2,1-4H3
InChIKeyPDAXFCXJVYKBHT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.05
Rot. Bonds5

About 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one

1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one (PubChem CID 66919644) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one
PubChem CID66919644
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one
SMILESCCCC(=O)C1(COC)C(C)CCC1C
InChIInChI=1S/C13H24O2/c1-5-6-12(14)13(9-15-4)10(2)7-8-11(13)3/h10-11H,5-9H2,1-4H3
InChIKeyPDAXFCXJVYKBHT-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one (CID 66919644) is 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one is CCCC(=O)C1(COC)C(C)CCC1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one?
The InChIKey is PDAXFCXJVYKBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-6-12(14)13(9-15-4)10(2)7-8-11(13)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one?
1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2,5-dimethylcyclopentyl]butan-1-one is sourced from PubChem (CID 66919644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).