(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane

C11H21IO — CID 134971686

IUPAC(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane
SMILESCCC[C@]1(C)C[C@@H](C)[C@H](CCI)O1
InChIInChI=1S/C11H21IO/c1-4-6-11(3)8-9(2)10(13-11)5-7-12/h9-10H,4-8H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyIJLAARAHRXYAQM-OUAUKWLOSA-N
MW296.19 g/mol
LogP3.80
Rot. Bonds4

About (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane

(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane (PubChem CID 134971686) has the molecular formula C11H21IO and a molecular weight of 296.19 g/mol. Its IUPAC name is (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane.

Molecular Properties

Compound Name(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane
PubChem CID134971686
Molecular FormulaC11H21IO
Molecular Weight296.19 g/mol
Exact Mass296.06
IUPAC Name(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane
SMILESCCC[C@]1(C)C[C@@H](C)[C@H](CCI)O1
InChIInChI=1S/C11H21IO/c1-4-6-11(3)8-9(2)10(13-11)5-7-12/h9-10H,4-8H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyIJLAARAHRXYAQM-OUAUKWLOSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.80
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

Tetradecahydrocyclododeca[b]furan
CID 14687820
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
6-(Iodomethyl)-5-oxaspiro(3.4)octane
CID 126970885
(3aR)-2-(iodomethyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
CID 44361911
3-Octyloxolane
CID 85711919
2-(Iodomethyl)-1-oxaspiro(4.7)dodecane
CID 130582623
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
2-Isoamyltetrahydrofuran
CID 12508223
alpha-Isobutyltetrahydrofuran
CID 14242113
2-n-Propyl-3-methyl-tetrahydrofuran
CID 18965607
2,2-Dimethyl-5-pentyltetrahydrofuran
CID 24973903
a-(2-Methylbutyl)tetrahydrofuran
CID 53654831

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane?
The IUPAC name of (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane (CID 134971686) is (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane.
What is the SMILES notation for (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane?
The canonical SMILES for (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane is CCC[C@]1(C)C[C@@H](C)[C@H](CCI)O1.
What is the InChIKey of (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane?
The InChIKey is IJLAARAHRXYAQM-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H21IO/c1-4-6-11(3)8-9(2)10(13-11)5-7-12/h9-10H,4-8H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane?
(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane has a molecular weight of 296.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane is sourced from PubChem (CID 134971686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).