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

C12H18O2 — CID 67368968

IUPAC1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
SMILESCCC(=O)C1(COC)C(C)=CC=C1C
InChIInChI=1S/C12H18O2/c1-5-11(13)12(8-14-4)9(2)6-7-10(12)3/h6-7H,5,8H2,1-4H3
InChIKeyCCTDTLSLOXXKET-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds4

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

1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one (PubChem CID 67368968) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
PubChem CID67368968
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one
SMILESCCC(=O)C1(COC)C(C)=CC=C1C
InChIInChI=1S/C12H18O2/c1-5-11(13)12(8-14-4)9(2)6-7-10(12)3/h6-7H,5,8H2,1-4H3
InChIKeyCCTDTLSLOXXKET-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Methoxymethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-one
CID 14568586
3-Ethenyl-3-(methoxymethyl)-6-methylhept-5-en-2-one
CID 20501815
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368364
1-[1-(Methoxymethyl)-2-methylcyclohexa-2,5-dien-1-yl]propan-1-one
CID 67368463
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67368884
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369064
1-[1-(Methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]propan-1-one
CID 67369839
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67369845
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67369865
1-[1-(Methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]-3,3-dimethylbutan-1-one
CID 67370021
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67370290
1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]butan-1-one
CID 67370392

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one (CID 67368968) is 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one is CCC(=O)C1(COC)C(C)=CC=C1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one?
The InChIKey is CCTDTLSLOXXKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-11(13)12(8-14-4)9(2)6-7-10(12)3/h6-7H,5,8H2,1-4H3.
What are the key properties of 1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one?
1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]propan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.50, 4 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]propan-1-one is sourced from PubChem (CID 67368968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).