1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one

C15H28O2 — CID 66919608

IUPAC1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one
SMILESCOCCC1CCCCC1C(=O)CCC(C)C
InChIInChI=1S/C15H28O2/c1-12(2)8-9-15(16)14-7-5-4-6-13(14)10-11-17-3/h12-14H,4-11H2,1-3H3
InChIKeyWNBDRMZNHVHBDF-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds7

About 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one

1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one (PubChem CID 66919608) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one
PubChem CID66919608
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one
SMILESCOCCC1CCCCC1C(=O)CCC(C)C
InChIInChI=1S/C15H28O2/c1-12(2)8-9-15(16)14-7-5-4-6-13(14)10-11-17-3/h12-14H,4-11H2,1-3H3
InChIKeyWNBDRMZNHVHBDF-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one (CID 66919608) is 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one is COCCC1CCCCC1C(=O)CCC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one?
The InChIKey is WNBDRMZNHVHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)8-9-15(16)14-7-5-4-6-13(14)10-11-17-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one?
1-[2-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-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-(2-methoxyethyl)cyclohexyl]-4-methylpentan-1-one is sourced from PubChem (CID 66919608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).