5-cycloheptyl-2-ethoxycarbonylpentanoic acid

C15H26O4 — CID 54419492

IUPAC5-cycloheptyl-2-ethoxycarbonylpentanoic acid
SMILESCCOC(=O)C(CCCC1CCCCCC1)C(=O)O
InChIInChI=1S/C15H26O4/c1-2-19-15(18)13(14(16)17)11-7-10-12-8-5-3-4-6-9-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyVZTYYPIDOXXCTA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.39
Rot. Bonds7

About 5-cycloheptyl-2-ethoxycarbonylpentanoic acid

5-cycloheptyl-2-ethoxycarbonylpentanoic acid (PubChem CID 54419492) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-cycloheptyl-2-ethoxycarbonylpentanoic acid.

Molecular Properties

Compound Name5-cycloheptyl-2-ethoxycarbonylpentanoic acid
PubChem CID54419492
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name5-cycloheptyl-2-ethoxycarbonylpentanoic acid
SMILESCCOC(=O)C(CCCC1CCCCCC1)C(=O)O
InChIInChI=1S/C15H26O4/c1-2-19-15(18)13(14(16)17)11-7-10-12-8-5-3-4-6-9-12/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyVZTYYPIDOXXCTA-UHFFFAOYSA-N
XLogP3.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-acetyl-5-cyclohexylpentanoate
CID 18370639
4-(3-cyclohexylpropoxy)-2-ethoxycarbonylbutanoic acid
CID 54183825
4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612
2-(3-cyclopentylpropoxy)-3-ethoxy-3-oxopropanoic acid
CID 54245695
2-butan-2-yloxycarbonyl-6-cyclopentylhexanoic acid
CID 70507907
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
ethyl acetate;hexylcyclohexane
CID 23285784
2-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 22042505
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
2-ethoxycarbonyl-6-hydroxyhexanoic acid
CID 54281479
1-O-(cyclopentylmethyl) 3-O-ethyl 2-ethylpropanedioate
CID 174749024
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-2-ethoxycarbonylpentanoic acid?
The IUPAC name of 5-cycloheptyl-2-ethoxycarbonylpentanoic acid (CID 54419492) is 5-cycloheptyl-2-ethoxycarbonylpentanoic acid.
What is the SMILES notation for 5-cycloheptyl-2-ethoxycarbonylpentanoic acid?
The canonical SMILES for 5-cycloheptyl-2-ethoxycarbonylpentanoic acid is CCOC(=O)C(CCCC1CCCCCC1)C(=O)O.
What is the InChIKey of 5-cycloheptyl-2-ethoxycarbonylpentanoic acid?
The InChIKey is VZTYYPIDOXXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-2-19-15(18)13(14(16)17)11-7-10-12-8-5-3-4-6-9-12/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of 5-cycloheptyl-2-ethoxycarbonylpentanoic acid?
5-cycloheptyl-2-ethoxycarbonylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-2-ethoxycarbonylpentanoic acid is sourced from PubChem (CID 54419492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).