10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate

C22H32Cl2O4 — CID 91728984

IUPAC10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate
SMILESCCCCCOC(=O)CCCCCCCCC(=O)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C22H32Cl2O4/c1-2-3-10-16-27-20(25)14-8-6-4-5-7-9-15-21(26)28-17-18-12-11-13-19(23)22(18)24/h11-13H,2-10,14-17H2,1H3
InChIKeyZCPXWCZDWXKQTP-UHFFFAOYSA-N
MW431.40 g/mol
LogP6.89
Rot. Bonds15

About 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate

10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate (PubChem CID 91728984) has the molecular formula C22H32Cl2O4 and a molecular weight of 431.40 g/mol. Its IUPAC name is 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate.

Molecular Properties

Compound Name10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate
PubChem CID91728984
Molecular FormulaC22H32Cl2O4
Molecular Weight431.40 g/mol
Exact Mass430.17
IUPAC Name10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate
SMILESCCCCCOC(=O)CCCCCCCCC(=O)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C22H32Cl2O4/c1-2-3-10-16-27-20(25)14-8-6-4-5-7-9-15-21(26)28-17-18-12-11-13-19(23)22(18)24/h11-13H,2-10,14-17H2,1H3
InChIKeyZCPXWCZDWXKQTP-UHFFFAOYSA-N
XLogP6.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.40
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate 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

5-O-[(3-chloro-2-nitrophenyl)methyl] 1-O-tridecyl pentanedioate
CID 91708486
5-O-[(3-chloro-2-nitrophenyl)methyl] 1-O-dodecyl pentanedioate
CID 91708485
10-O-(2,6-dichlorophenyl) 1-O-pentadecyl decanedioate
CID 91729717
5-O-(2,3-dichlorophenyl) 1-O-octyl pentanedioate
CID 91706953
10-O-[(2,5-dichlorophenyl)methyl] 1-O-octyl decanedioate
CID 91728994
5-O-(2,3-dichlorophenyl) 1-O-nonyl pentanedioate
CID 91709298
10-O-[(2-iodophenyl)methyl] 1-O-octyl decanedioate
CID 91729090
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
5-O-(2,3-dichlorophenyl) 1-O-pentyl pentanedioate
CID 91708768
1-O-dodecyl 5-O-[(2-methylphenyl)methyl] pentanedioate
CID 91703338
1-O-butyl 10-O-[2-(2-chlorophenyl)ethyl] decanedioate
CID 91715987
1-O-dodecyl 6-O-(2,3,6-trichlorophenyl) hexanedioate
CID 91713645

Frequently Asked Questions

What is the IUPAC name of 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate?
The IUPAC name of 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate (CID 91728984) is 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate.
What is the SMILES notation for 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate?
The canonical SMILES for 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate is CCCCCOC(=O)CCCCCCCCC(=O)OCc1cccc(Cl)c1Cl.
What is the InChIKey of 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate?
The InChIKey is ZCPXWCZDWXKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Cl2O4/c1-2-3-10-16-27-20(25)14-8-6-4-5-7-9-15-21(26)28-17-18-12-11-13-19(23)22(18)24/h11-13H,2-10,14-17H2,1H3.
What are the key properties of 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate?
10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate has a molecular weight of 431.40 g/mol, XLogP of 6.89, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-[(2,3-dichlorophenyl)methyl] 1-O-pentyl decanedioate is sourced from PubChem (CID 91728984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).