2-chloro-5-ethyl-3-methyloxane

C8H15ClO — CID 23124351

IUPAC2-chloro-5-ethyl-3-methyloxane
SMILESCCC1COC(Cl)C(C)C1
InChIInChI=1S/C8H15ClO/c1-3-7-4-6(2)8(9)10-5-7/h6-8H,3-5H2,1-2H3
InChIKeyVJFDGHWYBQBGGR-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.63
Rot. Bonds1

About 2-chloro-5-ethyl-3-methyloxane

2-chloro-5-ethyl-3-methyloxane (PubChem CID 23124351) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-chloro-5-ethyl-3-methyloxane.

Molecular Properties

Compound Name2-chloro-5-ethyl-3-methyloxane
PubChem CID23124351
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2-chloro-5-ethyl-3-methyloxane
SMILESCCC1COC(Cl)C(C)C1
InChIInChI=1S/C8H15ClO/c1-3-7-4-6(2)8(9)10-5-7/h6-8H,3-5H2,1-2H3
InChIKeyVJFDGHWYBQBGGR-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-5-ethyl-3-methyloxane?
The IUPAC name of 2-chloro-5-ethyl-3-methyloxane (CID 23124351) is 2-chloro-5-ethyl-3-methyloxane.
What is the SMILES notation for 2-chloro-5-ethyl-3-methyloxane?
The canonical SMILES for 2-chloro-5-ethyl-3-methyloxane is CCC1COC(Cl)C(C)C1.
What is the InChIKey of 2-chloro-5-ethyl-3-methyloxane?
The InChIKey is VJFDGHWYBQBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-7-4-6(2)8(9)10-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-5-ethyl-3-methyloxane?
2-chloro-5-ethyl-3-methyloxane has a molecular weight of 162.66 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-3-methyloxane is sourced from PubChem (CID 23124351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).