2-chloro-4-ethyl-3-propyloxolane

C9H17ClO — CID 23124345

IUPAC2-chloro-4-ethyl-3-propyloxolane
SMILESCCCC1C(CC)COC1Cl
InChIInChI=1S/C9H17ClO/c1-3-5-8-7(4-2)6-11-9(8)10/h7-9H,3-6H2,1-2H3
InChIKeyTUXQQKDAFCYFNM-UHFFFAOYSA-N
MW176.69 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-4-ethyl-3-propyloxolane

2-chloro-4-ethyl-3-propyloxolane (PubChem CID 23124345) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 2-chloro-4-ethyl-3-propyloxolane.

Molecular Properties

Compound Name2-chloro-4-ethyl-3-propyloxolane
PubChem CID23124345
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name2-chloro-4-ethyl-3-propyloxolane
SMILESCCCC1C(CC)COC1Cl
InChIInChI=1S/C9H17ClO/c1-3-5-8-7(4-2)6-11-9(8)10/h7-9H,3-6H2,1-2H3
InChIKeyTUXQQKDAFCYFNM-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 53.02
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-ethyl-3-propyloxolane?
The IUPAC name of 2-chloro-4-ethyl-3-propyloxolane (CID 23124345) is 2-chloro-4-ethyl-3-propyloxolane.
What is the SMILES notation for 2-chloro-4-ethyl-3-propyloxolane?
The canonical SMILES for 2-chloro-4-ethyl-3-propyloxolane is CCCC1C(CC)COC1Cl.
What is the InChIKey of 2-chloro-4-ethyl-3-propyloxolane?
The InChIKey is TUXQQKDAFCYFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-3-5-8-7(4-2)6-11-9(8)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-ethyl-3-propyloxolane?
2-chloro-4-ethyl-3-propyloxolane has a molecular weight of 176.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-3-propyloxolane is sourced from PubChem (CID 23124345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).