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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Related Compounds

2-prop-1-en-2-yl-1,4-dioxane
CID 178036695
2-(1,4-dioxan-2-yl)prop-2-enoic acid
CID 19891795
2-[(Z)-1,2-difluoroethenyl]-1,4-dioxane
CID 23261789
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
(4-bromo-2-methylpyrrolidin-1-yl)-(1,4-dioxan-2-yl)methanone
CID 131140665
1,4-dioxan-2-ol;prop-1-ene
CID 161403579
cycloheptyl(1,4-dioxan-2-yl)methanone
CID 115875404
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-amino-N'-methyl-1,4-dioxane-2-carboximidamide
CID 62804930
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methanone
CID 65350949
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418

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).