(5R)-5-ethyl-2-(iodomethyl)oxane

C8H15IO — CID 14892303

IUPAC(5R)-5-ethyl-2-(iodomethyl)oxane
SMILESCC[C@@H]1CCC(CI)OC1
InChIInChI=1S/C8H15IO/c1-2-7-3-4-8(5-9)10-6-7/h7-8H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyVBCJLKLBTARSSY-GVHYBUMESA-N
MW254.11 g/mol
LogP2.63
Rot. Bonds2

About (5R)-5-ethyl-2-(iodomethyl)oxane

(5R)-5-ethyl-2-(iodomethyl)oxane (PubChem CID 14892303) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is (5R)-5-ethyl-2-(iodomethyl)oxane.

Molecular Properties

Compound Name(5R)-5-ethyl-2-(iodomethyl)oxane
PubChem CID14892303
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name(5R)-5-ethyl-2-(iodomethyl)oxane
SMILESCC[C@@H]1CCC(CI)OC1
InChIInChI=1S/C8H15IO/c1-2-7-3-4-8(5-9)10-6-7/h7-8H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyVBCJLKLBTARSSY-GVHYBUMESA-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 ≤ 500254.11
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-2-(iodomethyl)oxane?
The IUPAC name of (5R)-5-ethyl-2-(iodomethyl)oxane (CID 14892303) is (5R)-5-ethyl-2-(iodomethyl)oxane.
What is the SMILES notation for (5R)-5-ethyl-2-(iodomethyl)oxane?
The canonical SMILES for (5R)-5-ethyl-2-(iodomethyl)oxane is CC[C@@H]1CCC(CI)OC1.
What is the InChIKey of (5R)-5-ethyl-2-(iodomethyl)oxane?
The InChIKey is VBCJLKLBTARSSY-GVHYBUMESA-N. The full InChI is InChI=1S/C8H15IO/c1-2-7-3-4-8(5-9)10-6-7/h7-8H,2-6H2,1H3/t7-,8?/m1/s1.
What are the key properties of (5R)-5-ethyl-2-(iodomethyl)oxane?
(5R)-5-ethyl-2-(iodomethyl)oxane has a molecular weight of 254.11 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 (5R)-5-ethyl-2-(iodomethyl)oxane is sourced from PubChem (CID 14892303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).