(2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane

C9H17IO — CID 10683299

IUPAC(2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane
SMILESC[C@H]1O[C@H](CI)C(C)(C)[C@H]1C
InChIInChI=1S/C9H17IO/c1-6-7(2)11-8(5-10)9(6,3)4/h6-8H,5H2,1-4H3/t6-,7+,8+/m0/s1
InChIKeyHXPQSFSRQYJREH-XLPZGREQSA-N
MW268.14 g/mol
LogP2.87
Rot. Bonds1

About (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane

(2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane (PubChem CID 10683299) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane.

Molecular Properties

Compound Name(2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane
PubChem CID10683299
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name(2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane
SMILESC[C@H]1O[C@H](CI)C(C)(C)[C@H]1C
InChIInChI=1S/C9H17IO/c1-6-7(2)11-8(5-10)9(6,3)4/h6-8H,5H2,1-4H3/t6-,7+,8+/m0/s1
InChIKeyHXPQSFSRQYJREH-XLPZGREQSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane?
The IUPAC name of (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane (CID 10683299) is (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane.
What is the SMILES notation for (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane?
The canonical SMILES for (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane is C[C@H]1O[C@H](CI)C(C)(C)[C@H]1C.
What is the InChIKey of (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane?
The InChIKey is HXPQSFSRQYJREH-XLPZGREQSA-N. The full InChI is InChI=1S/C9H17IO/c1-6-7(2)11-8(5-10)9(6,3)4/h6-8H,5H2,1-4H3/t6-,7+,8+/m0/s1.
What are the key properties of (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane?
(2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane has a molecular weight of 268.14 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-(iodomethyl)-3,3,4,5-tetramethyloxolane is sourced from PubChem (CID 10683299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).