1-(2-chloroethoxy)but-1-ene

C6H11ClO — CID 123683593

IUPAC1-(2-chloroethoxy)but-1-ene
SMILESCCC=COCCCl
InChIInChI=1S/C6H11ClO/c1-2-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyXNCSDNJTHNOWGB-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-chloroethoxy)but-1-ene

1-(2-chloroethoxy)but-1-ene (PubChem CID 123683593) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-(2-chloroethoxy)but-1-ene.

Molecular Properties

Compound Name1-(2-chloroethoxy)but-1-ene
PubChem CID123683593
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name1-(2-chloroethoxy)but-1-ene
SMILESCCC=COCCCl
InChIInChI=1S/C6H11ClO/c1-2-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyXNCSDNJTHNOWGB-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-3-chloro-1-methoxyprop-1-ene
CID 15570605
Ethoxyallylchloride
CID 54173451
1-(2-Chloroethoxy)prop-1-ene
CID 57285893
Chloromethoxypentene
CID 129804330
(E)-1-(chloromethoxy)but-1-ene
CID 21225599
(E)-3-chloro-1-[(E)-3-chlorobut-1-enoxy]but-1-ene
CID 23219334
4-Chloro-1-(4-chlorobut-1-enoxy)but-1-ene
CID 53446131
3-Chloro-4-ethoxybut-1-ene
CID 53684518
1-(Chloromethoxy)but-1-ene
CID 53826739
1-(2-Chloroethoxy)penta-1,4-diene
CID 53942730
3-Chloro-1-methoxyprop-1-ene
CID 53949506
3-Chloro-4-methoxybut-1-ene
CID 54225877

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)but-1-ene?
The IUPAC name of 1-(2-chloroethoxy)but-1-ene (CID 123683593) is 1-(2-chloroethoxy)but-1-ene.
What is the SMILES notation for 1-(2-chloroethoxy)but-1-ene?
The canonical SMILES for 1-(2-chloroethoxy)but-1-ene is CCC=COCCCl.
What is the InChIKey of 1-(2-chloroethoxy)but-1-ene?
The InChIKey is XNCSDNJTHNOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-2-3-5-8-6-4-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-(2-chloroethoxy)but-1-ene?
1-(2-chloroethoxy)but-1-ene has a molecular weight of 134.61 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)but-1-ene is sourced from PubChem (CID 123683593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).