3-butoxy-4-iodooxolane

C8H15IO2 — CID 114772097

IUPAC3-butoxy-4-iodooxolane
SMILESCCCCOC1COCC1I
InChIInChI=1S/C8H15IO2/c1-2-3-4-11-8-6-10-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyKAYTYHCTARPROJ-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.01
Rot. Bonds4

About 3-butoxy-4-iodooxolane

3-butoxy-4-iodooxolane (PubChem CID 114772097) has the molecular formula C8H15IO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is 3-butoxy-4-iodooxolane.

Molecular Properties

Compound Name3-butoxy-4-iodooxolane
PubChem CID114772097
Molecular FormulaC8H15IO2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name3-butoxy-4-iodooxolane
SMILESCCCCOC1COCC1I
InChIInChI=1S/C8H15IO2/c1-2-3-4-11-8-6-10-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyKAYTYHCTARPROJ-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-butoxyoxolane
CID 114772096
3-iodo-4-(3,3,3-trifluoropropoxy)oxolane
CID 114775005
1,2-dibutoxycyclohexane
CID 24962665
2-butoxycyclobutan-1-ol
CID 123438323
1-iodo-2-pentoxycyclopentane
CID 114773690
3-iodo-4-(2-methoxy-2-methylbutoxy)oxolane
CID 165493547
3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]oxan-4-ol
CID 104564775
3,4-diethoxyoxolane
CID 14307969
3-(cycloheptylmethoxy)-4-iodooxolane
CID 130495065
3-(3-butoxypropoxy)oxetane;3-(oxetan-3-yloxy)propan-1-ol
CID 163962789
3-bromo-4-(4-methylpentoxy)oxolane
CID 114773444
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-iodooxolane?
The IUPAC name of 3-butoxy-4-iodooxolane (CID 114772097) is 3-butoxy-4-iodooxolane.
What is the SMILES notation for 3-butoxy-4-iodooxolane?
The canonical SMILES for 3-butoxy-4-iodooxolane is CCCCOC1COCC1I.
What is the InChIKey of 3-butoxy-4-iodooxolane?
The InChIKey is KAYTYHCTARPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO2/c1-2-3-4-11-8-6-10-5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 3-butoxy-4-iodooxolane?
3-butoxy-4-iodooxolane has a molecular weight of 270.11 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-iodooxolane is sourced from PubChem (CID 114772097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).