2-chloro-2-prop-2-enyloxolane

C7H11ClO — CID 141305019

IUPAC2-chloro-2-prop-2-enyloxolane
SMILESC=CCC1(Cl)CCCO1
InChIInChI=1S/C7H11ClO/c1-2-4-7(8)5-3-6-9-7/h2H,1,3-6H2
InChIKeyAHMSYCDJWWGKLL-UHFFFAOYSA-N
MW146.62 g/mol
LogP2.31
Rot. Bonds2

About 2-chloro-2-prop-2-enyloxolane

2-chloro-2-prop-2-enyloxolane (PubChem CID 141305019) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 2-chloro-2-prop-2-enyloxolane.

Molecular Properties

Compound Name2-chloro-2-prop-2-enyloxolane
PubChem CID141305019
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name2-chloro-2-prop-2-enyloxolane
SMILESC=CCC1(Cl)CCCO1
InChIInChI=1S/C7H11ClO/c1-2-4-7(8)5-3-6-9-7/h2H,1,3-6H2
InChIKeyAHMSYCDJWWGKLL-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-prop-2-enyloxolane?
The IUPAC name of 2-chloro-2-prop-2-enyloxolane (CID 141305019) is 2-chloro-2-prop-2-enyloxolane.
What is the SMILES notation for 2-chloro-2-prop-2-enyloxolane?
The canonical SMILES for 2-chloro-2-prop-2-enyloxolane is C=CCC1(Cl)CCCO1.
What is the InChIKey of 2-chloro-2-prop-2-enyloxolane?
The InChIKey is AHMSYCDJWWGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-2-4-7(8)5-3-6-9-7/h2H,1,3-6H2.
What are the key properties of 2-chloro-2-prop-2-enyloxolane?
2-chloro-2-prop-2-enyloxolane has a molecular weight of 146.62 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-prop-2-enyloxolane is sourced from PubChem (CID 141305019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).