1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one

C15H28O2 — CID 67334772

IUPAC1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one
SMILESCOCCC1CCC(C)C1C(=O)CC(C)(C)C
InChIInChI=1S/C15H28O2/c1-11-6-7-12(8-9-17-5)14(11)13(16)10-15(2,3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyXSOIRYHJORKHNE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one

1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one (PubChem CID 67334772) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one
PubChem CID67334772
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one
SMILESCOCCC1CCC(C)C1C(=O)CC(C)(C)C
InChIInChI=1S/C15H28O2/c1-11-6-7-12(8-9-17-5)14(11)13(16)10-15(2,3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyXSOIRYHJORKHNE-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 4-methyl-4-(3-methyl-2-oxocyclopentyl)pentanoate
CID 135071051
methyl 2-[(1R)-1,2-dimethyl-3-oxocyclopentyl]acetate
CID 162420345
methyl 2-[(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate
CID 162420346
Ethyl 2-(2,2,3-trimethylcyclopentyl)acetate
CID 53804765
Ethyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate
CID 11769468
4,7-dimethyl-3,4,4a,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-5-one
CID 67788457
Methyl 2-(1,2-dimethyl-3-oxocyclopentyl)acetate
CID 166569735
(3r,5s)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanon
CID 15348631
(3r,5r)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanon
CID 15348632
1-Methyl-4-(2-isopropoxypropyl)bicyclo[3.1.0]hexan-2-one
CID 129812763
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 130909824
Methyl 2-[2-(2-methoxy-2-oxoethyl)-4,4-dimethylcyclopentyl]acetate
CID 134963878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one (CID 67334772) is 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one is COCCC1CCC(C)C1C(=O)CC(C)(C)C.
What is the InChIKey of 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one?
The InChIKey is XSOIRYHJORKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-6-7-12(8-9-17-5)14(11)13(16)10-15(2,3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one?
1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-5-methylcyclopentyl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 67334772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).