1,1-dichlorobutane-1,4-diol;ethenoxyethene

C8H14Cl2O3 — CID 174993228

IUPAC1,1-dichlorobutane-1,4-diol;ethenoxyethene
SMILESC=COC=C.OCCCC(O)(Cl)Cl
InChIInChI=1S/C4H8Cl2O2.C4H6O/c5-4(6,8)2-1-3-7;1-3-5-4-2/h7-8H,1-3H2;3-4H,1-2H2
InChIKeyXJKMRYFMMQOQMD-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.17
Rot. Bonds5

About 1,1-dichlorobutane-1,4-diol;ethenoxyethene

1,1-dichlorobutane-1,4-diol;ethenoxyethene (PubChem CID 174993228) has the molecular formula C8H14Cl2O3 and a molecular weight of 229.10 g/mol. Its IUPAC name is 1,1-dichlorobutane-1,4-diol;ethenoxyethene.

Molecular Properties

Compound Name1,1-dichlorobutane-1,4-diol;ethenoxyethene
PubChem CID174993228
Molecular FormulaC8H14Cl2O3
Molecular Weight229.10 g/mol
Exact Mass228.03
IUPAC Name1,1-dichlorobutane-1,4-diol;ethenoxyethene
SMILESC=COC=C.OCCCC(O)(Cl)Cl
InChIInChI=1S/C4H8Cl2O2.C4H6O/c5-4(6,8)2-1-3-7;1-3-5-4-2/h7-8H,1-3H2;3-4H,1-2H2
InChIKeyXJKMRYFMMQOQMD-UHFFFAOYSA-N
XLogP2.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dichlorobutane-1,4-diol;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

2-chloroethanol;ethenoxyethene
CID 19805128
(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
14-ethenoxytetradecan-1-ol
CID 139931182
4,4-dibromo-4-chlorobutan-1-ol
CID 88808392
(1,22-dihydroxy-1-prop-2-enoyloxydocosyl) prop-2-enoate
CID 142608065
hexane-1,6-diol;prop-2-enoxyboronic acid
CID 88739846
ethenoxyethene;hexane;methanol
CID 174389238
3,3-dichloropent-4-en-1-ol
CID 130124779
CID 159014150
CID 159014150
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
CID 169099356
(1,6-dihydroxy-1-prop-2-enoyloxyhexyl) 2-(trichloromethyl)prop-2-enoate
CID 139788317
4,4-dichlorohexan-1-ol
CID 163217202

Frequently Asked Questions

What is the IUPAC name of 1,1-dichlorobutane-1,4-diol;ethenoxyethene?
The IUPAC name of 1,1-dichlorobutane-1,4-diol;ethenoxyethene (CID 174993228) is 1,1-dichlorobutane-1,4-diol;ethenoxyethene.
What is the SMILES notation for 1,1-dichlorobutane-1,4-diol;ethenoxyethene?
The canonical SMILES for 1,1-dichlorobutane-1,4-diol;ethenoxyethene is C=COC=C.OCCCC(O)(Cl)Cl.
What is the InChIKey of 1,1-dichlorobutane-1,4-diol;ethenoxyethene?
The InChIKey is XJKMRYFMMQOQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2.C4H6O/c5-4(6,8)2-1-3-7;1-3-5-4-2/h7-8H,1-3H2;3-4H,1-2H2.
What are the key properties of 1,1-dichlorobutane-1,4-diol;ethenoxyethene?
1,1-dichlorobutane-1,4-diol;ethenoxyethene has a molecular weight of 229.10 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorobutane-1,4-diol;ethenoxyethene is sourced from PubChem (CID 174993228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).