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

C15H24O2 — CID 67371963

IUPAC1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one
SMILESCCCCCCC(=O)C1(COC)C=CC=C1C
InChIInChI=1S/C15H24O2/c1-4-5-6-7-10-14(16)15(12-17-3)11-8-9-13(15)2/h8-9,11H,4-7,10,12H2,1-3H3
InChIKeyWNDSPFVNAWCCTK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds8

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

1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one (PubChem CID 67371963) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one
PubChem CID67371963
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one
SMILESCCCCCCC(=O)C1(COC)C=CC=C1C
InChIInChI=1S/C15H24O2/c1-4-5-6-7-10-14(16)15(12-17-3)11-8-9-13(15)2/h8-9,11H,4-7,10,12H2,1-3H3
InChIKeyWNDSPFVNAWCCTK-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
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

Ethyl 1-acetyl-2-butylcycloprop-2-ene-1-carboxylate
CID 85879346
methyl (7E)-4,4,7-trimethyl-3-oxodeca-7,9-dienoate
CID 102280140
methyl (1R)-1-(cyclopenten-1-yl)-2-oxocyclopentane-1-carboxylate
CID 102349570
methyl (1R)-1-(cyclohexen-1-yl)-2-oxocyclopentane-1-carboxylate
CID 102349574
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
Ethyl 1-(cyclohexen-1-yl)-2-oxocyclopentane-1-carboxylate
CID 14264688
1-(2,8,8-Trimethyl-6-oxabicyclo[3.2.1]oct-2-en-7-yl)propan-2-one
CID 71439483
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
3-Ethyl-1-[1-(methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]heptan-1-one
CID 67368141
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368362

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one?
The IUPAC name of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one (CID 67371963) is 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one.
What is the SMILES notation for 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one?
The canonical SMILES for 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one is CCCCCCC(=O)C1(COC)C=CC=C1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one?
The InChIKey is WNDSPFVNAWCCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-6-7-10-14(16)15(12-17-3)11-8-9-13(15)2/h8-9,11H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one?
1-[1-(methoxymethyl)-2-methylcyclopenta-2,4-dien-1-yl]heptan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.67, 8 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]heptan-1-one is sourced from PubChem (CID 67371963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).