5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid

C15H24O5 — CID 150225145

IUPAC5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid
SMILESC=COCC1(COC(=O)CCCC(=O)O)CCCCC1
InChIInChI=1S/C15H24O5/c1-2-19-11-15(9-4-3-5-10-15)12-20-14(18)8-6-7-13(16)17/h2H,1,3-12H2,(H,16,17)
InChIKeyFUHMASROTLECIM-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.90
Rot. Bonds9

About 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid

5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid (PubChem CID 150225145) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid
PubChem CID150225145
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid
SMILESC=COCC1(COC(=O)CCCC(=O)O)CCCCC1
InChIInChI=1S/C15H24O5/c1-2-19-11-15(9-4-3-5-10-15)12-20-14(18)8-6-7-13(16)17/h2H,1,3-12H2,(H,16,17)
InChIKeyFUHMASROTLECIM-UHFFFAOYSA-N
XLogP2.90
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-bis(ethenoxymethyl)cyclodecane;bis(cyclodecane)
CID 66850804
[1-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298139
8-(4-ethenoxybutoxy)-8-oxooctanoic acid
CID 175367691
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022
[1-(4-sulfanylpentanoyloxymethyl)cyclohexyl]methyl 4-sulfanylpentanoate
CID 87479731
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
6-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-6-oxohexanoic acid;cyclopropane
CID 67733437
bis(6-ethenoxyhexyl) pentanedioate
CID 90256894
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid (CID 150225145) is 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid is C=COCC1(COC(=O)CCCC(=O)O)CCCCC1.
What is the InChIKey of 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid?
The InChIKey is FUHMASROTLECIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-2-19-11-15(9-4-3-5-10-15)12-20-14(18)8-6-7-13(16)17/h2H,1,3-12H2,(H,16,17).
What are the key properties of 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid?
5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(ethenoxymethyl)cyclohexyl]methoxy]-5-oxopentanoic acid is sourced from PubChem (CID 150225145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).