1-cyclopentyl-5-methyl-2-propoxyhexan-3-one

C15H28O2 — CID 59143484

IUPAC1-cyclopentyl-5-methyl-2-propoxyhexan-3-one
SMILESCCCOC(CC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C15H28O2/c1-4-9-17-15(14(16)10-12(2)3)11-13-7-5-6-8-13/h12-13,15H,4-11H2,1-3H3
InChIKeyABWVWMOXKNCTAR-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.98
Rot. Bonds8

About 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one

1-cyclopentyl-5-methyl-2-propoxyhexan-3-one (PubChem CID 59143484) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-5-methyl-2-propoxyhexan-3-one
PubChem CID59143484
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-cyclopentyl-5-methyl-2-propoxyhexan-3-one
SMILESCCCOC(CC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C15H28O2/c1-4-9-17-15(14(16)10-12(2)3)11-13-7-5-6-8-13/h12-13,15H,4-11H2,1-3H3
InChIKeyABWVWMOXKNCTAR-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one?
The IUPAC name of 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one (CID 59143484) is 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one.
What is the SMILES notation for 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one?
The canonical SMILES for 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one is CCCOC(CC1CCCC1)C(=O)CC(C)C.
What is the InChIKey of 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one?
The InChIKey is ABWVWMOXKNCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-9-17-15(14(16)10-12(2)3)11-13-7-5-6-8-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one?
1-cyclopentyl-5-methyl-2-propoxyhexan-3-one has a molecular weight of 240.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methyl-2-propoxyhexan-3-one is sourced from PubChem (CID 59143484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).