3-chloro-2-propyloxolane

C7H13ClO — CID 13494559

IUPAC3-chloro-2-propyloxolane
SMILESCCCC1OCCC1Cl
InChIInChI=1S/C7H13ClO/c1-2-3-7-6(8)4-5-9-7/h6-7H,2-5H2,1H3
InChIKeyXWRBZWBJVAMWPP-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.18
Rot. Bonds2

About 3-chloro-2-propyloxolane

3-chloro-2-propyloxolane (PubChem CID 13494559) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-chloro-2-propyloxolane.

Molecular Properties

Compound Name3-chloro-2-propyloxolane
PubChem CID13494559
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-chloro-2-propyloxolane
SMILESCCCC1OCCC1Cl
InChIInChI=1S/C7H13ClO/c1-2-3-7-6(8)4-5-9-7/h6-7H,2-5H2,1H3
InChIKeyXWRBZWBJVAMWPP-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propyloxolane?
The IUPAC name of 3-chloro-2-propyloxolane (CID 13494559) is 3-chloro-2-propyloxolane.
What is the SMILES notation for 3-chloro-2-propyloxolane?
The canonical SMILES for 3-chloro-2-propyloxolane is CCCC1OCCC1Cl.
What is the InChIKey of 3-chloro-2-propyloxolane?
The InChIKey is XWRBZWBJVAMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-3-7-6(8)4-5-9-7/h6-7H,2-5H2,1H3.
What are the key properties of 3-chloro-2-propyloxolane?
3-chloro-2-propyloxolane has a molecular weight of 148.63 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propyloxolane is sourced from PubChem (CID 13494559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).