(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene

C12H20Cl2O — CID 89236071

IUPAC(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene
SMILESCCC(Cl)/C=C/COC/C=C/C(Cl)CC
InChIInChI=1S/C12H20Cl2O/c1-3-11(13)7-5-9-15-10-6-8-12(14)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3/b7-5+,8-6+
InChIKeyPRUPSZUJJXGZJL-KQQUZDAGSA-N
MW251.20 g/mol
LogP4.15
Rot. Bonds8

About (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene

(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene (PubChem CID 89236071) has the molecular formula C12H20Cl2O and a molecular weight of 251.20 g/mol. Its IUPAC name is (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene.

Molecular Properties

Compound Name(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene
PubChem CID89236071
Molecular FormulaC12H20Cl2O
Molecular Weight251.20 g/mol
Exact Mass250.09
IUPAC Name(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene
SMILESCCC(Cl)/C=C/COC/C=C/C(Cl)CC
InChIInChI=1S/C12H20Cl2O/c1-3-11(13)7-5-9-15-10-6-8-12(14)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3/b7-5+,8-6+
InChIKeyPRUPSZUJJXGZJL-KQQUZDAGSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorooct-4-ene
CID 54432794
(E)-1-ethoxy-4-ethyl-5-methylhex-2-ene
CID 177330593
1-chloro-4-ethoxybut-2-ene
CID 567303
(Z)-1,2-dichlorohex-3-ene
CID 142932239
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
1,1-dichloropropane;piperazine
CID 158166114
1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene
CID 141057914
(E)-5-chlorododec-6-ene
CID 88752571
(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
CID 15327011
1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
CID 57019524
(E)-1-(chloromethoxy)hex-2-ene
CID 11499241
ethoxyethane;1,1,2,2-tetrachloroethane
CID 174880483

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene?
The IUPAC name of (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene (CID 89236071) is (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene.
What is the SMILES notation for (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene?
The canonical SMILES for (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene is CCC(Cl)/C=C/COC/C=C/C(Cl)CC.
What is the InChIKey of (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene?
The InChIKey is PRUPSZUJJXGZJL-KQQUZDAGSA-N. The full InChI is InChI=1S/C12H20Cl2O/c1-3-11(13)7-5-9-15-10-6-8-12(14)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3/b7-5+,8-6+.
What are the key properties of (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene?
(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene has a molecular weight of 251.20 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene is sourced from PubChem (CID 89236071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).