1-chloropentane;8-ethoxy-8-oxooctanoic acid

C15H29ClO4 — CID 175130522

IUPAC1-chloropentane;8-ethoxy-8-oxooctanoic acid
SMILESCCCCCCl.CCOC(=O)CCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C5H11Cl/c1-2-14-10(13)8-6-4-3-5-7-9(11)12;1-2-3-4-5-6/h2-8H2,1H3,(H,11,12);2-5H2,1H3
InChIKeyBDBMDLHBPJDSAN-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.39
Rot. Bonds11

About 1-chloropentane;8-ethoxy-8-oxooctanoic acid

1-chloropentane;8-ethoxy-8-oxooctanoic acid (PubChem CID 175130522) has the molecular formula C15H29ClO4 and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-chloropentane;8-ethoxy-8-oxooctanoic acid.

Molecular Properties

Compound Name1-chloropentane;8-ethoxy-8-oxooctanoic acid
PubChem CID175130522
Molecular FormulaC15H29ClO4
Molecular Weight308.85 g/mol
Exact Mass308.18
IUPAC Name1-chloropentane;8-ethoxy-8-oxooctanoic acid
SMILESCCCCCCl.CCOC(=O)CCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C5H11Cl/c1-2-14-10(13)8-6-4-3-5-7-9(11)12;1-2-3-4-5-6/h2-8H2,1H3,(H,11,12);2-5H2,1H3
InChIKeyBDBMDLHBPJDSAN-UHFFFAOYSA-N
XLogP4.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloropentane;8-ethoxy-8-oxooctanoic 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-chloropentane;7-ethoxy-7-oxoheptanoic acid
CID 175129053
ethyl octanoate;octanoic acid
CID 18625122
1-chloropentane;tetracosanoic acid
CID 174847534
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
1-chloropentane;decanoic acid
CID 174719935
nonadecakis(decanoic acid);ethyl decanoate;octadecyl icosanoate
CID 175591452
dichloromethane;ethyl nonanoate;methanol
CID 87514149
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;8-ethoxy-8-oxooctanoic acid?
The IUPAC name of 1-chloropentane;8-ethoxy-8-oxooctanoic acid (CID 175130522) is 1-chloropentane;8-ethoxy-8-oxooctanoic acid.
What is the SMILES notation for 1-chloropentane;8-ethoxy-8-oxooctanoic acid?
The canonical SMILES for 1-chloropentane;8-ethoxy-8-oxooctanoic acid is CCCCCCl.CCOC(=O)CCCCCCC(=O)O.
What is the InChIKey of 1-chloropentane;8-ethoxy-8-oxooctanoic acid?
The InChIKey is BDBMDLHBPJDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C5H11Cl/c1-2-14-10(13)8-6-4-3-5-7-9(11)12;1-2-3-4-5-6/h2-8H2,1H3,(H,11,12);2-5H2,1H3.
What are the key properties of 1-chloropentane;8-ethoxy-8-oxooctanoic acid?
1-chloropentane;8-ethoxy-8-oxooctanoic acid has a molecular weight of 308.85 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;8-ethoxy-8-oxooctanoic acid is sourced from PubChem (CID 175130522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).