2-(1-chloroethenyl)-1,4-dioxane;hydron

C6H10ClO2+ — CID 174261802

IUPAC2-(1-chloroethenyl)-1,4-dioxane;hydron
SMILESC=C(Cl)C1COCCO1.[H+]
InChIInChI=1S/C6H9ClO2/c1-5(7)6-4-8-2-3-9-6/h6H,1-4H2/p+1
InChIKeyDAONOWQHFHEPGS-UHFFFAOYSA-O
MW149.60 g/mol
LogP1.27
Rot. Bonds1

About 2-(1-chloroethenyl)-1,4-dioxane;hydron

2-(1-chloroethenyl)-1,4-dioxane;hydron (PubChem CID 174261802) has the molecular formula C6H10ClO2+ and a molecular weight of 149.60 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-1,4-dioxane;hydron.

Molecular Properties

Compound Name2-(1-chloroethenyl)-1,4-dioxane;hydron
PubChem CID174261802
Molecular FormulaC6H10ClO2+
Molecular Weight149.60 g/mol
Exact Mass149.04
IUPAC Name2-(1-chloroethenyl)-1,4-dioxane;hydron
SMILESC=C(Cl)C1COCCO1.[H+]
InChIInChI=1S/C6H9ClO2/c1-5(7)6-4-8-2-3-9-6/h6H,1-4H2/p+1
InChIKeyDAONOWQHFHEPGS-UHFFFAOYSA-O
XLogP1.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.60
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-1,4-dioxane;hydron?
The IUPAC name of 2-(1-chloroethenyl)-1,4-dioxane;hydron (CID 174261802) is 2-(1-chloroethenyl)-1,4-dioxane;hydron.
What is the SMILES notation for 2-(1-chloroethenyl)-1,4-dioxane;hydron?
The canonical SMILES for 2-(1-chloroethenyl)-1,4-dioxane;hydron is C=C(Cl)C1COCCO1.[H+].
What is the InChIKey of 2-(1-chloroethenyl)-1,4-dioxane;hydron?
The InChIKey is DAONOWQHFHEPGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9ClO2/c1-5(7)6-4-8-2-3-9-6/h6H,1-4H2/p+1.
What are the key properties of 2-(1-chloroethenyl)-1,4-dioxane;hydron?
2-(1-chloroethenyl)-1,4-dioxane;hydron has a molecular weight of 149.60 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-1,4-dioxane;hydron is sourced from PubChem (CID 174261802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).