1-chlorobuta-1,3-diene;ethenoxyethene

C8H11ClO — CID 174816216

IUPAC1-chlorobuta-1,3-diene;ethenoxyethene
SMILESC=CC=CCl.C=COC=C
InChIInChI=1S/C4H5Cl.C4H6O/c1-2-3-4-5;1-3-5-4-2/h2-4H,1H2;3-4H,1-2H2
InChIKeyWVADETZTYXENPZ-UHFFFAOYSA-N
MW158.63 g/mol
LogP3.21
Rot. Bonds3

About 1-chlorobuta-1,3-diene;ethenoxyethene

1-chlorobuta-1,3-diene;ethenoxyethene (PubChem CID 174816216) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-chlorobuta-1,3-diene;ethenoxyethene.

Molecular Properties

Compound Name1-chlorobuta-1,3-diene;ethenoxyethene
PubChem CID174816216
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name1-chlorobuta-1,3-diene;ethenoxyethene
SMILESC=CC=CCl.C=COC=C
InChIInChI=1S/C4H5Cl.C4H6O/c1-2-3-4-5;1-3-5-4-2/h2-4H,1H2;3-4H,1-2H2
InChIKeyWVADETZTYXENPZ-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-chlorobuta-1,3-diene;ethenoxyethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-1-chlorobuta-1,3-diene
CID 5462923
1-ethenoxybuta-1,3-diene
CID 56983443
CID 159014150
CID 159014150
acetylene;ethenoxyethene
CID 175367616
2-chloroethanol;ethenoxyethene
CID 19805128
ethenoxyethene;nitroxyl
CID 87932268
ethenoxyethene;silyloxysilane
CID 173176170
ethenoxyethene;prop-1-ene
CID 22912569
1-chlorobuta-1,3-diene;(Z)-2-methylbut-2-enedioic acid
CID 174909115
bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene
CID 174904901
ethenoxyethene;fluoroethene;hydrofluoride
CID 175297556
3-ethenoxyprop-2-enethial
CID 91124600

Frequently Asked Questions

What is the IUPAC name of 1-chlorobuta-1,3-diene;ethenoxyethene?
The IUPAC name of 1-chlorobuta-1,3-diene;ethenoxyethene (CID 174816216) is 1-chlorobuta-1,3-diene;ethenoxyethene.
What is the SMILES notation for 1-chlorobuta-1,3-diene;ethenoxyethene?
The canonical SMILES for 1-chlorobuta-1,3-diene;ethenoxyethene is C=CC=CCl.C=COC=C.
What is the InChIKey of 1-chlorobuta-1,3-diene;ethenoxyethene?
The InChIKey is WVADETZTYXENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl.C4H6O/c1-2-3-4-5;1-3-5-4-2/h2-4H,1H2;3-4H,1-2H2.
What are the key properties of 1-chlorobuta-1,3-diene;ethenoxyethene?
1-chlorobuta-1,3-diene;ethenoxyethene has a molecular weight of 158.63 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobuta-1,3-diene;ethenoxyethene is sourced from PubChem (CID 174816216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).