1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane

C14H28Cl2O2 — CID 12752732

IUPAC1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane
SMILESCCCCCCCCC(CCl)OCCOCCCl
InChIInChI=1S/C14H28Cl2O2/c1-2-3-4-5-6-7-8-14(13-16)18-12-11-17-10-9-15/h14H,2-13H2,1H3
InChIKeyPLVAHHBMYAWQHZ-UHFFFAOYSA-N
MW299.28 g/mol
LogP4.62
Rot. Bonds14

About 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane

1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane (PubChem CID 12752732) has the molecular formula C14H28Cl2O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane.

Molecular Properties

Compound Name1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane
PubChem CID12752732
Molecular FormulaC14H28Cl2O2
Molecular Weight299.28 g/mol
Exact Mass298.15
IUPAC Name1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane
SMILESCCCCCCCCC(CCl)OCCOCCCl
InChIInChI=1S/C14H28Cl2O2/c1-2-3-4-5-6-7-8-14(13-16)18-12-11-17-10-9-15/h14H,2-13H2,1H3
InChIKeyPLVAHHBMYAWQHZ-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane?
The IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane (CID 12752732) is 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane.
What is the SMILES notation for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane?
The canonical SMILES for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane is CCCCCCCCC(CCl)OCCOCCCl.
What is the InChIKey of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane?
The InChIKey is PLVAHHBMYAWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Cl2O2/c1-2-3-4-5-6-7-8-14(13-16)18-12-11-17-10-9-15/h14H,2-13H2,1H3.
What are the key properties of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane?
1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane has a molecular weight of 299.28 g/mol, XLogP of 4.62, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]decane is sourced from PubChem (CID 12752732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).