(2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane

C10H19IO — CID 14940639

IUPAC(2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane
SMILESCCCC[C@H]1O[C@H](C)[C@H](C)[C@H]1I
InChIInChI=1S/C10H19IO/c1-4-5-6-9-10(11)7(2)8(3)12-9/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyRRFHDPCPRGBEAR-SGIHWFKDSA-N
MW282.17 g/mol
LogP3.40
Rot. Bonds3

About (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane

(2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane (PubChem CID 14940639) has the molecular formula C10H19IO and a molecular weight of 282.17 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane
PubChem CID14940639
Molecular FormulaC10H19IO
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name(2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane
SMILESCCCC[C@H]1O[C@H](C)[C@H](C)[C@H]1I
InChIInChI=1S/C10H19IO/c1-4-5-6-9-10(11)7(2)8(3)12-9/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyRRFHDPCPRGBEAR-SGIHWFKDSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.40
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 (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane?
The IUPAC name of (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane (CID 14940639) is (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane.
What is the SMILES notation for (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane?
The canonical SMILES for (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane is CCCC[C@H]1O[C@H](C)[C@H](C)[C@H]1I.
What is the InChIKey of (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane?
The InChIKey is RRFHDPCPRGBEAR-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H19IO/c1-4-5-6-9-10(11)7(2)8(3)12-9/h7-10H,4-6H2,1-3H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane?
(2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane has a molecular weight of 282.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-butyl-3-iodo-4,5-dimethyloxolane is sourced from PubChem (CID 14940639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).