(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene

C8H13ClO — CID 143371875

IUPAC(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene
SMILESC/C=C/COC(C)/C=C/Cl
InChIInChI=1S/C8H13ClO/c1-3-4-7-10-8(2)5-6-9/h3-6,8H,7H2,1-2H3/b4-3+,6-5+
InChIKeyZDMBYCQQRHBFHB-VNKDHWASSA-N
MW160.64 g/mol
LogP2.72
Rot. Bonds4

About (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene

(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene (PubChem CID 143371875) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene.

Molecular Properties

Compound Name(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene
PubChem CID143371875
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene
SMILESC/C=C/COC(C)/C=C/Cl
InChIInChI=1S/C8H13ClO/c1-3-4-7-10-8(2)5-6-9/h3-6,8H,7H2,1-2H3/b4-3+,6-5+
InChIKeyZDMBYCQQRHBFHB-VNKDHWASSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene?
The IUPAC name of (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene (CID 143371875) is (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene.
What is the SMILES notation for (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene?
The canonical SMILES for (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene is C/C=C/COC(C)/C=C/Cl.
What is the InChIKey of (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene?
The InChIKey is ZDMBYCQQRHBFHB-VNKDHWASSA-N. The full InChI is InChI=1S/C8H13ClO/c1-3-4-7-10-8(2)5-6-9/h3-6,8H,7H2,1-2H3/b4-3+,6-5+.
What are the key properties of (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene?
(E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene has a molecular weight of 160.64 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-but-2-enoxy]-1-chlorobut-1-ene is sourced from PubChem (CID 143371875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).