4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene

C12H20Cl2O3 — CID 91512187

IUPAC4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
SMILESClCCOCCC=COC=CCCOCCCl
InChIInChI=1S/C12H20Cl2O3/c13-5-11-16-9-3-1-7-15-8-2-4-10-17-12-6-14/h1-2,7-8H,3-6,9-12H2
InChIKeyNGQKTWQNZKNRJF-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.32
Rot. Bonds12

About 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene

4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene (PubChem CID 91512187) has the molecular formula C12H20Cl2O3 and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
PubChem CID91512187
Molecular FormulaC12H20Cl2O3
Molecular Weight283.19 g/mol
Exact Mass282.08
IUPAC Name4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
SMILESClCCOCCC=COC=CCCOCCCl
InChIInChI=1S/C12H20Cl2O3/c13-5-11-16-9-3-1-7-15-8-2-4-10-17-12-6-14/h1-2,7-8H,3-6,9-12H2
InChIKeyNGQKTWQNZKNRJF-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
1-chloro-5-(5-chloropent-3-enoxy)pent-2-ene
CID 3371850
1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
CID 175229318
(Z)-1-chloro-6-[[(Z)-6-chlorohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229333
1-chloro-2-(2-iodoethoxy)ethane
CID 86625811
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
CID 21428408
3-(2-chloroethoxy)propan-1-amine
CID 106306176
(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene
CID 101137196
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
5-chloro-1-(5-chloropenta-1,3-dienoxy)penta-1,3-diene
CID 139662021
(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
CID 163205102

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene?
The IUPAC name of 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene (CID 91512187) is 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene.
What is the SMILES notation for 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene?
The canonical SMILES for 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene is ClCCOCCC=COC=CCCOCCCl.
What is the InChIKey of 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene?
The InChIKey is NGQKTWQNZKNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O3/c13-5-11-16-9-3-1-7-15-8-2-4-10-17-12-6-14/h1-2,7-8H,3-6,9-12H2.
What are the key properties of 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene?
4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene has a molecular weight of 283.19 g/mol, XLogP of 3.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene is sourced from PubChem (CID 91512187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).