3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane

C10H19IO3 — CID 165493547

IUPAC3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane
SMILESCCC(C)(COC1COCC1I)OC
InChIInChI=1S/C10H19IO3/c1-4-10(2,12-3)7-14-9-6-13-5-8(9)11/h8-9H,4-7H2,1-3H3
InChIKeyUSHXKIVLCCETBD-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.02
Rot. Bonds5

About 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane

3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane (PubChem CID 165493547) has the molecular formula C10H19IO3 and a molecular weight of 314.16 g/mol. Its IUPAC name is 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane.

Molecular Properties

Compound Name3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane
PubChem CID165493547
Molecular FormulaC10H19IO3
Molecular Weight314.16 g/mol
Exact Mass314.04
IUPAC Name3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane
SMILESCCC(C)(COC1COCC1I)OC
InChIInChI=1S/C10H19IO3/c1-4-10(2,12-3)7-14-9-6-13-5-8(9)11/h8-9H,4-7H2,1-3H3
InChIKeyUSHXKIVLCCETBD-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane?
The IUPAC name of 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane (CID 165493547) is 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane.
What is the SMILES notation for 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane?
The canonical SMILES for 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane is CCC(C)(COC1COCC1I)OC.
What is the InChIKey of 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane?
The InChIKey is USHXKIVLCCETBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO3/c1-4-10(2,12-3)7-14-9-6-13-5-8(9)11/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane?
3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane has a molecular weight of 314.16 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane is sourced from PubChem (CID 165493547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).