10-but-1-enoxy-10-oxodecanoic acid

C14H24O4 — CID 141244571

IUPAC10-but-1-enoxy-10-oxodecanoic acid
SMILESCCC=COC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C14H24O4/c1-2-3-12-18-14(17)11-9-7-5-4-6-8-10-13(15)16/h3,12H,2,4-11H2,1H3,(H,15,16)
InChIKeyHTGAFLQHXNQVFD-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.66
Rot. Bonds11

About 10-but-1-enoxy-10-oxodecanoic acid

10-but-1-enoxy-10-oxodecanoic acid (PubChem CID 141244571) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 10-but-1-enoxy-10-oxodecanoic acid.

Molecular Properties

Compound Name10-but-1-enoxy-10-oxodecanoic acid
PubChem CID141244571
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name10-but-1-enoxy-10-oxodecanoic acid
SMILESCCC=COC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C14H24O4/c1-2-3-12-18-14(17)11-9-7-5-4-6-8-10-13(15)16/h3,12H,2,4-11H2,1H3,(H,15,16)
InChIKeyHTGAFLQHXNQVFD-UHFFFAOYSA-N
XLogP3.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-but-1-enoxy-10-oxodecanoic 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

bis(but-1-enyl) hexanedioate
CID 154102434
azane;[(E)-but-1-enyl] octadecanoate;ethene
CID 173420288
[(E)-but-1-enyl] dec-9-enoate
CID 140786901
[(E)-but-1-enyl] (Z)-octadec-9-enoate
CID 140786894
octadec-1-enyl tetradecanoate
CID 71417711
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
docos-1-enyl tetradecanoate
CID 141143815
4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid
CID 19733981
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
alumane;4-oct-1-enoxy-4-oxobutanoic acid
CID 173019028
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785

Frequently Asked Questions

What is the IUPAC name of 10-but-1-enoxy-10-oxodecanoic acid?
The IUPAC name of 10-but-1-enoxy-10-oxodecanoic acid (CID 141244571) is 10-but-1-enoxy-10-oxodecanoic acid.
What is the SMILES notation for 10-but-1-enoxy-10-oxodecanoic acid?
The canonical SMILES for 10-but-1-enoxy-10-oxodecanoic acid is CCC=COC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-but-1-enoxy-10-oxodecanoic acid?
The InChIKey is HTGAFLQHXNQVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-3-12-18-14(17)11-9-7-5-4-6-8-10-13(15)16/h3,12H,2,4-11H2,1H3,(H,15,16).
What are the key properties of 10-but-1-enoxy-10-oxodecanoic acid?
10-but-1-enoxy-10-oxodecanoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-but-1-enoxy-10-oxodecanoic acid is sourced from PubChem (CID 141244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).