[(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol

C8H15IO2 — CID 125424785

IUPAC[(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol
SMILESCC[C@]1(CO)CO[C@@H](CI)C1
InChIInChI=1S/C8H15IO2/c1-2-8(5-10)3-7(4-9)11-6-8/h7,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyZICPUOILXZMYGJ-SFYZADRCSA-N
MW270.11 g/mol
LogP1.60
Rot. Bonds3

About [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol

[(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol (PubChem CID 125424785) has the molecular formula C8H15IO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol
PubChem CID125424785
Molecular FormulaC8H15IO2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name[(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol
SMILESCC[C@]1(CO)CO[C@@H](CI)C1
InChIInChI=1S/C8H15IO2/c1-2-8(5-10)3-7(4-9)11-6-8/h7,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyZICPUOILXZMYGJ-SFYZADRCSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol (CID 125424785) is [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol is CC[C@]1(CO)CO[C@@H](CI)C1.
What is the InChIKey of [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol?
The InChIKey is ZICPUOILXZMYGJ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15IO2/c1-2-8(5-10)3-7(4-9)11-6-8/h7,10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol?
[(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol has a molecular weight of 270.11 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3-ethyl-5-(iodomethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 125424785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).