2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene

C24H44Cl2O3 — CID 139714619

IUPAC2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene
SMILESC=C(CCl)CCCCCCCCOCOCOCCCCCCCCC(=C)CCl
InChIInChI=1S/C24H44Cl2O3/c1-23(19-25)15-11-7-3-5-9-13-17-27-21-29-22-28-18-14-10-6-4-8-12-16-24(2)20-26/h1-22H2
InChIKeyKCJYSDVWSLSXJB-UHFFFAOYSA-N
MW451.52 g/mol
LogP8.00
Rot. Bonds24

About 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene

2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene (PubChem CID 139714619) has the molecular formula C24H44Cl2O3 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene
PubChem CID139714619
Molecular FormulaC24H44Cl2O3
Molecular Weight451.52 g/mol
Exact Mass450.27
IUPAC Name2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene
SMILESC=C(CCl)CCCCCCCCOCOCOCCCCCCCCC(=C)CCl
InChIInChI=1S/C24H44Cl2O3/c1-23(19-25)15-11-7-3-5-9-13-17-27-21-29-22-28-18-14-10-6-4-8-12-16-24(2)20-26/h1-22H2
InChIKeyKCJYSDVWSLSXJB-UHFFFAOYSA-N
XLogP8.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 58.00
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
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CID 103065980

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene?
The IUPAC name of 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene (CID 139714619) is 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene.
What is the SMILES notation for 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene?
The canonical SMILES for 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene is C=C(CCl)CCCCCCCCOCOCOCCCCCCCCC(=C)CCl.
What is the InChIKey of 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene?
The InChIKey is KCJYSDVWSLSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44Cl2O3/c1-23(19-25)15-11-7-3-5-9-13-17-27-21-29-22-28-18-14-10-6-4-8-12-16-24(2)20-26/h1-22H2.
What are the key properties of 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene?
2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene has a molecular weight of 451.52 g/mol, XLogP of 8.00, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-10-[9-(chloromethyl)dec-9-enoxymethoxymethoxy]dec-1-ene is sourced from PubChem (CID 139714619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).