(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane

C9H17IO2 — CID 125425209

IUPAC(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane
SMILESCC[C@@]1(COC)CO[C@@H](CI)C1
InChIInChI=1S/C9H17IO2/c1-3-9(6-11-2)4-8(5-10)12-7-9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyMENDIAQNRKQNDU-RKDXNWHRSA-N
MW284.14 g/mol
LogP2.25
Rot. Bonds4

About (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane

(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane (PubChem CID 125425209) has the molecular formula C9H17IO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane
PubChem CID125425209
Molecular FormulaC9H17IO2
Molecular Weight284.14 g/mol
Exact Mass284.03
IUPAC Name(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane
SMILESCC[C@@]1(COC)CO[C@@H](CI)C1
InChIInChI=1S/C9H17IO2/c1-3-9(6-11-2)4-8(5-10)12-7-9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyMENDIAQNRKQNDU-RKDXNWHRSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane?
The IUPAC name of (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane (CID 125425209) is (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane.
What is the SMILES notation for (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane?
The canonical SMILES for (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane is CC[C@@]1(COC)CO[C@@H](CI)C1.
What is the InChIKey of (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane?
The InChIKey is MENDIAQNRKQNDU-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17IO2/c1-3-9(6-11-2)4-8(5-10)12-7-9/h8H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane?
(2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane has a molecular weight of 284.14 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethyl-2-(iodomethyl)-4-(methoxymethyl)oxolane is sourced from PubChem (CID 125425209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).