2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane

C12H22Cl4O5 — CID 87064578

IUPAC2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane
SMILESClCCOC(COCC(OCCCl)OCCCl)OCCCl
InChIInChI=1S/C12H22Cl4O5/c13-1-5-18-11(19-6-2-14)9-17-10-12(20-7-3-15)21-8-4-16/h11-12H,1-10H2
InChIKeyAWDSWVMSEAEZQQ-UHFFFAOYSA-N
MW388.12 g/mol
LogP2.68
Rot. Bonds16

About 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane

2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane (PubChem CID 87064578) has the molecular formula C12H22Cl4O5 and a molecular weight of 388.12 g/mol. Its IUPAC name is 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane.

Molecular Properties

Compound Name2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane
PubChem CID87064578
Molecular FormulaC12H22Cl4O5
Molecular Weight388.12 g/mol
Exact Mass386.02
IUPAC Name2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane
SMILESClCCOC(COCC(OCCCl)OCCCl)OCCCl
InChIInChI=1S/C12H22Cl4O5/c13-1-5-18-11(19-6-2-14)9-17-10-12(20-7-3-15)21-8-4-16/h11-12H,1-10H2
InChIKeyAWDSWVMSEAEZQQ-UHFFFAOYSA-N
XLogP2.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane?
The IUPAC name of 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane (CID 87064578) is 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane.
What is the SMILES notation for 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane?
The canonical SMILES for 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane is ClCCOC(COCC(OCCCl)OCCCl)OCCCl.
What is the InChIKey of 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane?
The InChIKey is AWDSWVMSEAEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl4O5/c13-1-5-18-11(19-6-2-14)9-17-10-12(20-7-3-15)21-8-4-16/h11-12H,1-10H2.
What are the key properties of 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane?
2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane has a molecular weight of 388.12 g/mol, XLogP of 2.68, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2-chloroethoxy)ethoxy]-1,1-bis(2-chloroethoxy)ethane is sourced from PubChem (CID 87064578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).