2,9-bis(2-methoxyphenoxy)decanedioyl dichloride

C24H28Cl2O6 — CID 102377700

IUPAC2,9-bis(2-methoxyphenoxy)decanedioyl dichloride
SMILESCOc1ccccc1OC(CCCCCCC(Oc1ccccc1OC)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C24H28Cl2O6/c1-29-17-11-7-9-13-19(17)31-21(23(25)27)15-5-3-4-6-16-22(24(26)28)32-20-14-10-8-12-18(20)30-2/h7-14,21-22H,3-6,15-16H2,1-2H3
InChIKeyXSHJPJBDOWYIQJ-UHFFFAOYSA-N
MW483.39 g/mol
LogP5.77
Rot. Bonds15

About 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride

2,9-bis(2-methoxyphenoxy)decanedioyl dichloride (PubChem CID 102377700) has the molecular formula C24H28Cl2O6 and a molecular weight of 483.39 g/mol. Its IUPAC name is 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride.

Molecular Properties

Compound Name2,9-bis(2-methoxyphenoxy)decanedioyl dichloride
PubChem CID102377700
Molecular FormulaC24H28Cl2O6
Molecular Weight483.39 g/mol
Exact Mass482.13
IUPAC Name2,9-bis(2-methoxyphenoxy)decanedioyl dichloride
SMILESCOc1ccccc1OC(CCCCCCC(Oc1ccccc1OC)C(=O)Cl)C(=O)Cl
InChIInChI=1S/C24H28Cl2O6/c1-29-17-11-7-9-13-19(17)31-21(23(25)27)15-5-3-4-6-16-22(24(26)28)32-20-14-10-8-12-18(20)30-2/h7-14,21-22H,3-6,15-16H2,1-2H3
InChIKeyXSHJPJBDOWYIQJ-UHFFFAOYSA-N
XLogP5.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.39
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)decanoic acid
CID 21317194
8-methyl-2-phenoxynonanoyl chloride
CID 154350649
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
2-(2-methoxyphenoxy)propanediamide
CID 141374982
3-(2-methoxyphenoxy)pentane-2,4-dione
CID 90444810
2-(2-propoxyphenoxy)hexadecanoic acid
CID 175401560
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride?
The IUPAC name of 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride (CID 102377700) is 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride.
What is the SMILES notation for 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride?
The canonical SMILES for 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride is COc1ccccc1OC(CCCCCCC(Oc1ccccc1OC)C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride?
The InChIKey is XSHJPJBDOWYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2O6/c1-29-17-11-7-9-13-19(17)31-21(23(25)27)15-5-3-4-6-16-22(24(26)28)32-20-14-10-8-12-18(20)30-2/h7-14,21-22H,3-6,15-16H2,1-2H3.
What are the key properties of 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride?
2,9-bis(2-methoxyphenoxy)decanedioyl dichloride has a molecular weight of 483.39 g/mol, XLogP of 5.77, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2-methoxyphenoxy)decanedioyl dichloride is sourced from PubChem (CID 102377700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).