4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one

C17H32O2 — CID 67421039

IUPAC4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one
SMILESCCCCC(CC)CC(=O)C(OC)C1CCCC1C
InChIInChI=1S/C17H32O2/c1-5-7-10-14(6-2)12-16(18)17(19-4)15-11-8-9-13(15)3/h13-15,17H,5-12H2,1-4H3
InChIKeyGCNOXGLXIRNJJE-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.61
Rot. Bonds9

About 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one

4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one (PubChem CID 67421039) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one.

Molecular Properties

Compound Name4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one
PubChem CID67421039
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one
SMILESCCCCC(CC)CC(=O)C(OC)C1CCCC1C
InChIInChI=1S/C17H32O2/c1-5-7-10-14(6-2)12-16(18)17(19-4)15-11-8-9-13(15)3/h13-15,17H,5-12H2,1-4H3
InChIKeyGCNOXGLXIRNJJE-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one?
The IUPAC name of 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one (CID 67421039) is 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one.
What is the SMILES notation for 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one?
The canonical SMILES for 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one is CCCCC(CC)CC(=O)C(OC)C1CCCC1C.
What is the InChIKey of 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one?
The InChIKey is GCNOXGLXIRNJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-7-10-14(6-2)12-16(18)17(19-4)15-11-8-9-13(15)3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one?
4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one has a molecular weight of 268.44 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methoxy-1-(2-methylcyclopentyl)octan-2-one is sourced from PubChem (CID 67421039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).