(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one

C9H15IO2 — CID 102355829

IUPAC(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one
SMILESCC1(C)OC(=O)C(C)(C)[C@H]1CI
InChIInChI=1S/C9H15IO2/c1-8(2)6(5-10)9(3,4)12-7(8)11/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyWJQQOCUWJNKAQO-ZCFIWIBFSA-N
MW282.12 g/mol
LogP2.40
Rot. Bonds1

About (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one

(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one (PubChem CID 102355829) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one
PubChem CID102355829
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one
SMILESCC1(C)OC(=O)C(C)(C)[C@H]1CI
InChIInChI=1S/C9H15IO2/c1-8(2)6(5-10)9(3,4)12-7(8)11/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyWJQQOCUWJNKAQO-ZCFIWIBFSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.40
H-Bond Donors ≤ 50
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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Related Compounds

(4R,5S)-4-fluoro-5-(iodomethyl)-3,3-dimethyloxolan-2-one
CID 101459127
(4R,5S)-4-(iodomethyl)-3,3-dimethyl-5-pentyloxolan-2-one
CID 102355828
3-(aminomethyl)-2,2,4,4-tetramethylcyclobutan-1-one
CID 165439368
(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one
CID 15531256
ethane;propane;2,2,5,5-tetramethyl-1,3-dioxane-4,6-dione
CID 142877166
1,7-diethyl-4,4,8,8-tetramethyl-3,5-dioxabicyclo[5.1.0]octane-2,6-dione
CID 70869397
ethyl (2R,3S)-2,4,4-trimethyl-5-oxo-2-propan-2-yloxolane-3-carboxylate
CID 15145481
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351
3-ethyl-3,4-dimethyloxetan-2-one
CID 87128552
(3aR,6aR)-3,3,6a-trimethyl-3a,4,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 101139038
(3aR,6R,6aS)-3,3,6-trimethyl-6a-(3-oxobutyl)-3a,4,5,6-tetrahydrocyclopenta[c]furan-1-one
CID 23253114
2,4-dimethyl-2-propyl-1,3-oxathiolan-5-one
CID 139877740

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one?
The IUPAC name of (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one (CID 102355829) is (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one.
What is the SMILES notation for (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one?
The canonical SMILES for (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one is CC1(C)OC(=O)C(C)(C)[C@H]1CI.
What is the InChIKey of (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one?
The InChIKey is WJQQOCUWJNKAQO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15IO2/c1-8(2)6(5-10)9(3,4)12-7(8)11/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one?
(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one has a molecular weight of 282.12 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one is sourced from PubChem (CID 102355829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).