(3S)-3-(2-iodoethyl)oxolane

C6H11IO — CID 97296763

IUPAC(3S)-3-(2-iodoethyl)oxolane
SMILESICC[C@@H]1CCOC1
InChIInChI=1S/C6H11IO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2/t6-/m1/s1
InChIKeyXNWBAKALMXNYBC-ZCFIWIBFSA-N
MW226.06 g/mol
LogP1.85
Rot. Bonds2

About (3S)-3-(2-iodoethyl)oxolane

(3S)-3-(2-iodoethyl)oxolane (PubChem CID 97296763) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is (3S)-3-(2-iodoethyl)oxolane.

Molecular Properties

Compound Name(3S)-3-(2-iodoethyl)oxolane
PubChem CID97296763
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name(3S)-3-(2-iodoethyl)oxolane
SMILESICC[C@@H]1CCOC1
InChIInChI=1S/C6H11IO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2/t6-/m1/s1
InChIKeyXNWBAKALMXNYBC-ZCFIWIBFSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.85
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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Related Compounds

4-(Iodomethyl)oxane
CID 2795507
3-Ethyltetrahydrofuran
CID 10996972
3-(Iodomethyl)oxolane
CID 2763006
4-(2-Iodoethyl)oxane
CID 71648954
2-(Iodomethyl)-3-methyltetrahydrofuran
CID 13903432
(3R)-3-(Iodomethyl)oxolane
CID 26338693
(3S)-3-(iodomethyl)oxolane
CID 26338696
CID 59677626
CID 59677626
(3R)-3-ethyloxolane
CID 59833558
(3S)-3-ethyloxolane
CID 66580917
3-(2-Iodoethyl)oxolane
CID 72214153
(3R)-3-(2-iodoethyl)oxolane
CID 97296764

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-iodoethyl)oxolane?
The IUPAC name of (3S)-3-(2-iodoethyl)oxolane (CID 97296763) is (3S)-3-(2-iodoethyl)oxolane.
What is the SMILES notation for (3S)-3-(2-iodoethyl)oxolane?
The canonical SMILES for (3S)-3-(2-iodoethyl)oxolane is ICC[C@@H]1CCOC1.
What is the InChIKey of (3S)-3-(2-iodoethyl)oxolane?
The InChIKey is XNWBAKALMXNYBC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11IO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (3S)-3-(2-iodoethyl)oxolane?
(3S)-3-(2-iodoethyl)oxolane has a molecular weight of 226.06 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-iodoethyl)oxolane is sourced from PubChem (CID 97296763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).