2-chloro-6-ethyl-3,4,5-trimethyloxane

C10H19ClO — CID 22086236

IUPAC2-chloro-6-ethyl-3,4,5-trimethyloxane
SMILESCCC1OC(Cl)C(C)C(C)C1C
InChIInChI=1S/C10H19ClO/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-10H,5H2,1-4H3
InChIKeyWDHMMPABNIBGAX-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.27
Rot. Bonds1

About 2-chloro-6-ethyl-3,4,5-trimethyloxane

2-chloro-6-ethyl-3,4,5-trimethyloxane (PubChem CID 22086236) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 2-chloro-6-ethyl-3,4,5-trimethyloxane.

Molecular Properties

Compound Name2-chloro-6-ethyl-3,4,5-trimethyloxane
PubChem CID22086236
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name2-chloro-6-ethyl-3,4,5-trimethyloxane
SMILESCCC1OC(Cl)C(C)C(C)C1C
InChIInChI=1S/C10H19ClO/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-10H,5H2,1-4H3
InChIKeyWDHMMPABNIBGAX-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.27
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-6-ethyl-3,4,5-trimethyloxane?
The IUPAC name of 2-chloro-6-ethyl-3,4,5-trimethyloxane (CID 22086236) is 2-chloro-6-ethyl-3,4,5-trimethyloxane.
What is the SMILES notation for 2-chloro-6-ethyl-3,4,5-trimethyloxane?
The canonical SMILES for 2-chloro-6-ethyl-3,4,5-trimethyloxane is CCC1OC(Cl)C(C)C(C)C1C.
What is the InChIKey of 2-chloro-6-ethyl-3,4,5-trimethyloxane?
The InChIKey is WDHMMPABNIBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-5-9-7(3)6(2)8(4)10(11)12-9/h6-10H,5H2,1-4H3.
What are the key properties of 2-chloro-6-ethyl-3,4,5-trimethyloxane?
2-chloro-6-ethyl-3,4,5-trimethyloxane has a molecular weight of 190.71 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-3,4,5-trimethyloxane is sourced from PubChem (CID 22086236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).