2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid

C15H26O4 — CID 20679941

IUPAC2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid
SMILESCCC(C)(CC(C)C(=O)OC1(C)CCCC1)C(=O)O
InChIInChI=1S/C15H26O4/c1-5-14(3,13(17)18)10-11(2)12(16)19-15(4)8-6-7-9-15/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyUBOJCRWNJDPJMG-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.39
Rot. Bonds6

About 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid

2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid (PubChem CID 20679941) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid
PubChem CID20679941
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid
SMILESCCC(C)(CC(C)C(=O)OC1(C)CCCC1)C(=O)O
InChIInChI=1S/C15H26O4/c1-5-14(3,13(17)18)10-11(2)12(16)19-15(4)8-6-7-9-15/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyUBOJCRWNJDPJMG-UHFFFAOYSA-N
XLogP3.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid?
The IUPAC name of 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid (CID 20679941) is 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid.
What is the SMILES notation for 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid?
The canonical SMILES for 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid is CCC(C)(CC(C)C(=O)OC1(C)CCCC1)C(=O)O.
What is the InChIKey of 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid?
The InChIKey is UBOJCRWNJDPJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-14(3,13(17)18)10-11(2)12(16)19-15(4)8-6-7-9-15/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid?
2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethyl-5-(1-methylcyclopentyl)oxy-5-oxopentanoic acid is sourced from PubChem (CID 20679941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).