(E)-1-butan-2-yloxy-4-chlorobut-2-ene

C8H15ClO — CID 64683150

IUPAC(E)-1-butan-2-yloxy-4-chlorobut-2-ene
SMILESCCC(C)OC/C=C/CCl
InChIInChI=1S/C8H15ClO/c1-3-8(2)10-7-5-4-6-9/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyGGPZFFHGPKILBI-SNAWJCMRSA-N
MW162.66 g/mol
LogP2.60
Rot. Bonds5

About (E)-1-butan-2-yloxy-4-chlorobut-2-ene

(E)-1-butan-2-yloxy-4-chlorobut-2-ene (PubChem CID 64683150) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (E)-1-butan-2-yloxy-4-chlorobut-2-ene.

Molecular Properties

Compound Name(E)-1-butan-2-yloxy-4-chlorobut-2-ene
PubChem CID64683150
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(E)-1-butan-2-yloxy-4-chlorobut-2-ene
SMILESCCC(C)OC/C=C/CCl
InChIInChI=1S/C8H15ClO/c1-3-8(2)10-7-5-4-6-9/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyGGPZFFHGPKILBI-SNAWJCMRSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-butan-2-yloxy-4-chlorobut-2-ene?
The IUPAC name of (E)-1-butan-2-yloxy-4-chlorobut-2-ene (CID 64683150) is (E)-1-butan-2-yloxy-4-chlorobut-2-ene.
What is the SMILES notation for (E)-1-butan-2-yloxy-4-chlorobut-2-ene?
The canonical SMILES for (E)-1-butan-2-yloxy-4-chlorobut-2-ene is CCC(C)OC/C=C/CCl.
What is the InChIKey of (E)-1-butan-2-yloxy-4-chlorobut-2-ene?
The InChIKey is GGPZFFHGPKILBI-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-8(2)10-7-5-4-6-9/h4-5,8H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of (E)-1-butan-2-yloxy-4-chlorobut-2-ene?
(E)-1-butan-2-yloxy-4-chlorobut-2-ene has a molecular weight of 162.66 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-butan-2-yloxy-4-chlorobut-2-ene is sourced from PubChem (CID 64683150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).