1-chloro-1-(1-chloroethenoxy)ethane

C4H6Cl2O — CID 89186659

IUPAC1-chloro-1-(1-chloroethenoxy)ethane
SMILESC=C(Cl)OC(C)Cl
InChIInChI=1S/C4H6Cl2O/c1-3(5)7-4(2)6/h4H,1H2,2H3
InChIKeyTZEIUCQRVZAFDS-UHFFFAOYSA-N
MW141.00 g/mol
LogP2.30
Rot. Bonds2

About 1-chloro-1-(1-chloroethenoxy)ethane

1-chloro-1-(1-chloroethenoxy)ethane (PubChem CID 89186659) has the molecular formula C4H6Cl2O and a molecular weight of 141.00 g/mol. Its IUPAC name is 1-chloro-1-(1-chloroethenoxy)ethane.

Molecular Properties

Compound Name1-chloro-1-(1-chloroethenoxy)ethane
PubChem CID89186659
Molecular FormulaC4H6Cl2O
Molecular Weight141.00 g/mol
Exact Mass139.98
IUPAC Name1-chloro-1-(1-chloroethenoxy)ethane
SMILESC=C(Cl)OC(C)Cl
InChIInChI=1S/C4H6Cl2O/c1-3(5)7-4(2)6/h4H,1H2,2H3
InChIKeyTZEIUCQRVZAFDS-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-chloroethyl] [(1R)-1-chloroethyl] carbonate
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1-chloro-1-methoxyethene
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2-chloro-4-methylpent-1-ene
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1-chloroethyl 2-hydroxypropanoate
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2-(1,2,2-trichloroethenoxy)propane
CID 86259327
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
1-hydroxyethyl 2-chloroprop-2-enoate
CID 22155739
dichloro(1-chloroethyl)silane
CID 123987366
3-hydroxybutan-2-yl 2-chloroprop-2-enoate
CID 87235238
1-chloroethyl N-[(1E)-buta-1,3-dienyl]ethanimidate
CID 155160330
(1-hydroxy-2-methylpropyl) 2-chloroprop-2-enoate
CID 87235484

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1-chloroethenoxy)ethane?
The IUPAC name of 1-chloro-1-(1-chloroethenoxy)ethane (CID 89186659) is 1-chloro-1-(1-chloroethenoxy)ethane.
What is the SMILES notation for 1-chloro-1-(1-chloroethenoxy)ethane?
The canonical SMILES for 1-chloro-1-(1-chloroethenoxy)ethane is C=C(Cl)OC(C)Cl.
What is the InChIKey of 1-chloro-1-(1-chloroethenoxy)ethane?
The InChIKey is TZEIUCQRVZAFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O/c1-3(5)7-4(2)6/h4H,1H2,2H3.
What are the key properties of 1-chloro-1-(1-chloroethenoxy)ethane?
1-chloro-1-(1-chloroethenoxy)ethane has a molecular weight of 141.00 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1-chloroethenoxy)ethane is sourced from PubChem (CID 89186659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).