(2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane

C8H15ClO — CID 643024

IUPAC(2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane
SMILESCC[C@H]1[C@H](Cl)CCO[C@@H]1C
InChIInChI=1S/C8H15ClO/c1-3-7-6(2)10-5-4-8(7)9/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyBYIIADULCOQCFM-BWZBUEFSSA-N
MW162.66 g/mol
LogP2.43
Rot. Bonds1

About (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane

(2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane (PubChem CID 643024) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane.

Molecular Properties

Compound Name(2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane
PubChem CID643024
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane
SMILESCC[C@H]1[C@H](Cl)CCO[C@@H]1C
InChIInChI=1S/C8H15ClO/c1-3-7-6(2)10-5-4-8(7)9/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyBYIIADULCOQCFM-BWZBUEFSSA-N
XLogP2.43
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 ≤ 52.43
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 (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane?
The IUPAC name of (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane (CID 643024) is (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane.
What is the SMILES notation for (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane?
The canonical SMILES for (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane is CC[C@H]1[C@H](Cl)CCO[C@@H]1C.
What is the InChIKey of (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane?
The InChIKey is BYIIADULCOQCFM-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-7-6(2)10-5-4-8(7)9/h6-8H,3-5H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane?
(2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane has a molecular weight of 162.66 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-chloro-3-ethyl-2-methyloxane is sourced from PubChem (CID 643024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).