1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one

C14H22O2 — CID 67369845

IUPAC1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one
SMILESCCCCC(=O)C1(COC)C(C)=CC=C1C
InChIInChI=1S/C14H22O2/c1-5-6-7-13(15)14(10-16-4)11(2)8-9-12(14)3/h8-9H,5-7,10H2,1-4H3
InChIKeyDVDHQHYZUZGKRL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds6

About 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one

1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one (PubChem CID 67369845) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one
PubChem CID67369845
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one
SMILESCCCCC(=O)C1(COC)C(C)=CC=C1C
InChIInChI=1S/C14H22O2/c1-5-6-7-13(15)14(10-16-4)11(2)8-9-12(14)3/h8-9H,5-7,10H2,1-4H3
InChIKeyDVDHQHYZUZGKRL-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one with MolForge

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Related Compounds

3-Ethoxy-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-YL)butan-1-one
CID 71374887
[(1R)-1,4-dimethyl-7-oxocyclohept-3-en-1-yl]methyl acetate
CID 101732865
5-Methoxy-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-3-one
CID 58937308
1-[1-(Methoxymethyl)cyclohexa-2,5-dien-1-yl]hexan-1-one
CID 67367971
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]-2-methylpropan-1-one
CID 67368131
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368362
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368364
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67368883
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67368884
1-[1-(Methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]decan-1-one
CID 67368947
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one
CID 67368966
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
CID 67368968

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one (CID 67369845) is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one is CCCCC(=O)C1(COC)C(C)=CC=C1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one?
The InChIKey is DVDHQHYZUZGKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-6-7-13(15)14(10-16-4)11(2)8-9-12(14)3/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one?
1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.28, 6 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-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one is sourced from PubChem (CID 67369845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).