11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene

C27H53ClO3 — CID 142736704

IUPAC11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
SMILESC=CCCCCCCCCCOCCCOCCCCCCCCCCOCCCCl
InChIInChI=1S/C27H53ClO3/c1-2-3-4-5-6-7-10-14-17-23-30-26-20-27-31-24-18-15-12-9-8-11-13-16-22-29-25-19-21-28/h2H,1,3-27H2
InChIKeyTWPPEKISLIRBRL-UHFFFAOYSA-N
MW461.17 g/mol
LogP8.48
Rot. Bonds28

About 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene

11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene (PubChem CID 142736704) has the molecular formula C27H53ClO3 and a molecular weight of 461.17 g/mol. Its IUPAC name is 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene.

Molecular Properties

Compound Name11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
PubChem CID142736704
Molecular FormulaC27H53ClO3
Molecular Weight461.17 g/mol
Exact Mass460.37
IUPAC Name11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
SMILESC=CCCCCCCCCCOCCCOCCCCCCCCCCOCCCCl
InChIInChI=1S/C27H53ClO3/c1-2-3-4-5-6-7-10-14-17-23-30-26-20-27-31-24-18-15-12-9-8-11-13-16-22-29-25-19-21-28/h2H,1,3-27H2
InChIKeyTWPPEKISLIRBRL-UHFFFAOYSA-N
XLogP8.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.17
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene 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

12-dodec-11-enoxydodec-1-ene
CID 87325659
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
CID 177402979
16-chlorohexadeca-1,6-diene
CID 71382129
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900
4-undec-10-enoxybutane-1-sulfonic acid
CID 151809612
2-dec-9-enoxyethyl sulfate
CID 123315004
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
6-(methoxymethoxy)hex-1-ene
CID 14631669

Frequently Asked Questions

What is the IUPAC name of 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene?
The IUPAC name of 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene (CID 142736704) is 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene.
What is the SMILES notation for 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene?
The canonical SMILES for 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene is C=CCCCCCCCCCOCCCOCCCCCCCCCCOCCCCl.
What is the InChIKey of 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene?
The InChIKey is TWPPEKISLIRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53ClO3/c1-2-3-4-5-6-7-10-14-17-23-30-26-20-27-31-24-18-15-12-9-8-11-13-16-22-29-25-19-21-28/h2H,1,3-27H2.
What are the key properties of 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene?
11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene has a molecular weight of 461.17 g/mol, XLogP of 8.48, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene is sourced from PubChem (CID 142736704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).