3-chloro-2-prop-2-ynoxyoxolane

C7H9ClO2 — CID 4110216

IUPAC3-chloro-2-prop-2-ynoxyoxolane
SMILESC#CCOC1OCCC1Cl
InChIInChI=1S/C7H9ClO2/c1-2-4-9-7-6(8)3-5-10-7/h1,6-7H,3-5H2
InChIKeyDRVUBVGRMOGQIS-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.99
Rot. Bonds2

About 3-chloro-2-prop-2-ynoxyoxolane

3-chloro-2-prop-2-ynoxyoxolane (PubChem CID 4110216) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is 3-chloro-2-prop-2-ynoxyoxolane.

Molecular Properties

Compound Name3-chloro-2-prop-2-ynoxyoxolane
PubChem CID4110216
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Name3-chloro-2-prop-2-ynoxyoxolane
SMILESC#CCOC1OCCC1Cl
InChIInChI=1S/C7H9ClO2/c1-2-4-9-7-6(8)3-5-10-7/h1,6-7H,3-5H2
InChIKeyDRVUBVGRMOGQIS-UHFFFAOYSA-N
XLogP0.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-prop-2-ynoxyoxolane?
The IUPAC name of 3-chloro-2-prop-2-ynoxyoxolane (CID 4110216) is 3-chloro-2-prop-2-ynoxyoxolane.
What is the SMILES notation for 3-chloro-2-prop-2-ynoxyoxolane?
The canonical SMILES for 3-chloro-2-prop-2-ynoxyoxolane is C#CCOC1OCCC1Cl.
What is the InChIKey of 3-chloro-2-prop-2-ynoxyoxolane?
The InChIKey is DRVUBVGRMOGQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-2-4-9-7-6(8)3-5-10-7/h1,6-7H,3-5H2.
What are the key properties of 3-chloro-2-prop-2-ynoxyoxolane?
3-chloro-2-prop-2-ynoxyoxolane has a molecular weight of 160.60 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-prop-2-ynoxyoxolane is sourced from PubChem (CID 4110216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).