1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one

C14H22O2 — CID 67371658

IUPAC1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
SMILESCCCCCC(=O)C1(COC)C=CC=C1C
InChIInChI=1S/C14H22O2/c1-4-5-6-9-13(15)14(11-16-3)10-7-8-12(14)2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyBUKZTKSGOXIIMH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds7

About 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one

1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one (PubChem CID 67371658) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
PubChem CID67371658
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
SMILESCCCCCC(=O)C1(COC)C=CC=C1C
InChIInChI=1S/C14H22O2/c1-4-5-6-9-13(15)14(11-16-3)10-7-8-12(14)2/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyBUKZTKSGOXIIMH-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

methyl (7E)-4,4,7-trimethyl-3-oxodeca-7,9-dienoate
CID 102280140
Methyl 1-acetyl-4-methylidene-5-propan-2-ylidenecyclohept-2-ene-1-carboxylate
CID 134995391
3-Ethoxy-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-YL)butan-1-one
CID 71374887
2-(2-Butenylidene)-3,3-dimethyl-5-(2-oxopropyl)tetrahydrofuran, diastereomer 1
CID 91750813
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-[2-(2-Methoxyethyl)cyclopenta-2,4-dien-1-yl]decan-1-one
CID 67368946

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one (CID 67371658) is 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one is CCCCCC(=O)C1(COC)C=CC=C1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one?
The InChIKey is BUKZTKSGOXIIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-6-9-13(15)14(11-16-3)10-7-8-12(14)2/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one?
1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]hexan-1-one is sourced from PubChem (CID 67371658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).