(5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane

C10H15ClO — CID 178110942

IUPAC(5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane
SMILESC/C=C\C(Cl)=C1/CCC(C)(C)O1
InChIInChI=1S/C10H15ClO/c1-4-5-8(11)9-6-7-10(2,3)12-9/h4-5H,6-7H2,1-3H3/b5-4-,9-8-
InChIKeyVZOGWLPKHMJXIP-WPAMCMATSA-N
MW186.68 g/mol
LogP3.60
Rot. Bonds1

About (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane

(5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane (PubChem CID 178110942) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane.

Molecular Properties

Compound Name(5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane
PubChem CID178110942
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane
SMILESC/C=C\C(Cl)=C1/CCC(C)(C)O1
InChIInChI=1S/C10H15ClO/c1-4-5-8(11)9-6-7-10(2,3)12-9/h4-5H,6-7H2,1-3H3/b5-4-,9-8-
InChIKeyVZOGWLPKHMJXIP-WPAMCMATSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane?
The IUPAC name of (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane (CID 178110942) is (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane.
What is the SMILES notation for (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane?
The canonical SMILES for (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane is C/C=C\C(Cl)=C1/CCC(C)(C)O1.
What is the InChIKey of (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane?
The InChIKey is VZOGWLPKHMJXIP-WPAMCMATSA-N. The full InChI is InChI=1S/C10H15ClO/c1-4-5-8(11)9-6-7-10(2,3)12-9/h4-5H,6-7H2,1-3H3/b5-4-,9-8-.
What are the key properties of (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane?
(5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane has a molecular weight of 186.68 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-1-chlorobut-2-enylidene]-2,2-dimethyloxolane is sourced from PubChem (CID 178110942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).