2-chloro-4-methyl-3-propyloxolane

C8H15ClO — CID 23124335

IUPAC2-chloro-4-methyl-3-propyloxolane
SMILESCCCC1C(C)COC1Cl
InChIInChI=1S/C8H15ClO/c1-3-4-7-6(2)5-10-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeyUQDSLGILBPXOKT-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-4-methyl-3-propyloxolane

2-chloro-4-methyl-3-propyloxolane (PubChem CID 23124335) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-propyloxolane.

Molecular Properties

Compound Name2-chloro-4-methyl-3-propyloxolane
PubChem CID23124335
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2-chloro-4-methyl-3-propyloxolane
SMILESCCCC1C(C)COC1Cl
InChIInChI=1S/C8H15ClO/c1-3-4-7-6(2)5-10-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeyUQDSLGILBPXOKT-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.63
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 2-chloro-4-methyl-3-propyloxolane?
The IUPAC name of 2-chloro-4-methyl-3-propyloxolane (CID 23124335) is 2-chloro-4-methyl-3-propyloxolane.
What is the SMILES notation for 2-chloro-4-methyl-3-propyloxolane?
The canonical SMILES for 2-chloro-4-methyl-3-propyloxolane is CCCC1C(C)COC1Cl.
What is the InChIKey of 2-chloro-4-methyl-3-propyloxolane?
The InChIKey is UQDSLGILBPXOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-4-7-6(2)5-10-8(7)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-3-propyloxolane?
2-chloro-4-methyl-3-propyloxolane has a molecular weight of 162.66 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-3-propyloxolane is sourced from PubChem (CID 23124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).