1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one

C15H28O2 — CID 67436154

IUPAC1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one
SMILESCCCCCC(=O)C(OC)C1C(C)CCC1C
InChIInChI=1S/C15H28O2/c1-5-6-7-8-13(16)15(17-4)14-11(2)9-10-12(14)3/h11-12,14-15H,5-10H2,1-4H3
InChIKeyYAKLEHYFHUDCSE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds7

About 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one

1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one (PubChem CID 67436154) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one
PubChem CID67436154
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one
SMILESCCCCCC(=O)C(OC)C1C(C)CCC1C
InChIInChI=1S/C15H28O2/c1-5-6-7-8-13(16)15(17-4)14-11(2)9-10-12(14)3/h11-12,14-15H,5-10H2,1-4H3
InChIKeyYAKLEHYFHUDCSE-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.83
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

1-(2,5-dimethylcyclopentyl)-1-methoxydecan-2-one
CID 67418604
1-(2,6-dimethylcyclohexyl)-1-methoxydecan-2-one
CID 118577342
1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
1-cyclopenta-2,4-dien-1-yl-1-methoxyundecan-2-one
CID 67420374
1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
1,1-dimethoxyoctadecan-2-one
CID 54059971
4-methoxypentadecan-5-one
CID 116708152
cyclopropyl decanoate
CID 154321154
2-methoxy-3-oxoundecanamide
CID 91551788
1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
hexanoyl cyclopropanecarboxylate
CID 174962910
1,1-bis(sulfanyl)heptan-2-one
CID 88623659

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one?
The IUPAC name of 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one (CID 67436154) is 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one.
What is the SMILES notation for 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one?
The canonical SMILES for 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one is CCCCCC(=O)C(OC)C1C(C)CCC1C.
What is the InChIKey of 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one?
The InChIKey is YAKLEHYFHUDCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-6-7-8-13(16)15(17-4)14-11(2)9-10-12(14)3/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one?
1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one has a molecular weight of 240.39 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylcyclopentyl)-1-methoxyheptan-2-one is sourced from PubChem (CID 67436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).