(E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene

C6H8Cl2O — CID 15140007

IUPAC(E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene
SMILESCl/C=C/COC/C=C/Cl
InChIInChI=1S/C6H8Cl2O/c7-3-1-5-9-6-2-4-8/h1-4H,5-6H2/b3-1+,4-2+
InChIKeyFIKDRSSZQXZDHK-ZPUQHVIOSA-N
MW167.04 g/mol
LogP2.51
Rot. Bonds4

About (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene

(E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene (PubChem CID 15140007) has the molecular formula C6H8Cl2O and a molecular weight of 167.04 g/mol. Its IUPAC name is (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene
PubChem CID15140007
Molecular FormulaC6H8Cl2O
Molecular Weight167.04 g/mol
Exact Mass166.00
IUPAC Name(E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene
SMILESCl/C=C/COC/C=C/Cl
InChIInChI=1S/C6H8Cl2O/c7-3-1-5-9-6-2-4-8/h1-4H,5-6H2/b3-1+,4-2+
InChIKeyFIKDRSSZQXZDHK-ZPUQHVIOSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.04
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chloroethoxy)-1,2-dichloropropene
CID 6435436
3-(2-Chloroethoxy)prop-1-ene
CID 4462293
Ether, 2-chloroethyl 2,3-dichloroallyl
CID 55302
Allyl 1-chloroethyl ether
CID 13099177
3-[2-(2-Chloroethoxy)ethoxy]prop-1-ene
CID 19835661
Chloroallyl ether
CID 57001831
3-(1-Chloroethoxy)-3-fluoroprop-1-ene
CID 88634372
3-(2-Chloroethoxy)-3-fluoroprop-1-ene
CID 88634718
3-(1-Chloroethoxy)-1-fluoroprop-1-ene
CID 173398400
3-(2-Chloroethoxy)-1-fluoroprop-1-ene
CID 173398520
2-Butene, 1-chloro-4-ethoxy-
CID 5369204
(E)-1-chloro-3-ethoxyprop-1-ene
CID 18415297

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene?
The IUPAC name of (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene (CID 15140007) is (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene.
What is the SMILES notation for (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene?
The canonical SMILES for (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene is Cl/C=C/COC/C=C/Cl.
What is the InChIKey of (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene?
The InChIKey is FIKDRSSZQXZDHK-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H8Cl2O/c7-3-1-5-9-6-2-4-8/h1-4H,5-6H2/b3-1+,4-2+.
What are the key properties of (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene?
(E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene has a molecular weight of 167.04 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3-[(E)-3-chloroprop-2-enoxy]prop-1-ene is sourced from PubChem (CID 15140007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).