1-chloro-1,1-bis(ethenoxy)ethane

C6H9ClO2 — CID 24973192

IUPAC1-chloro-1,1-bis(ethenoxy)ethane
SMILESC=COC(C)(Cl)OC=C
InChIInChI=1S/C6H9ClO2/c1-4-8-6(3,7)9-5-2/h4-5H,1-2H2,3H3
InChIKeyMMHJNAIQRAZTLT-UHFFFAOYSA-N
MW148.59 g/mol
LogP2.22
Rot. Bonds4

About 1-chloro-1,1-bis(ethenoxy)ethane

1-chloro-1,1-bis(ethenoxy)ethane (PubChem CID 24973192) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 1-chloro-1,1-bis(ethenoxy)ethane.

Molecular Properties

Compound Name1-chloro-1,1-bis(ethenoxy)ethane
PubChem CID24973192
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name1-chloro-1,1-bis(ethenoxy)ethane
SMILESC=COC(C)(Cl)OC=C
InChIInChI=1S/C6H9ClO2/c1-4-8-6(3,7)9-5-2/h4-5H,1-2H2,3H3
InChIKeyMMHJNAIQRAZTLT-UHFFFAOYSA-N
XLogP2.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-bis(ethenoxy)ethane?
The IUPAC name of 1-chloro-1,1-bis(ethenoxy)ethane (CID 24973192) is 1-chloro-1,1-bis(ethenoxy)ethane.
What is the SMILES notation for 1-chloro-1,1-bis(ethenoxy)ethane?
The canonical SMILES for 1-chloro-1,1-bis(ethenoxy)ethane is C=COC(C)(Cl)OC=C.
What is the InChIKey of 1-chloro-1,1-bis(ethenoxy)ethane?
The InChIKey is MMHJNAIQRAZTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-4-8-6(3,7)9-5-2/h4-5H,1-2H2,3H3.
What are the key properties of 1-chloro-1,1-bis(ethenoxy)ethane?
1-chloro-1,1-bis(ethenoxy)ethane has a molecular weight of 148.59 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-bis(ethenoxy)ethane is sourced from PubChem (CID 24973192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).