(3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane

C10H19IO — CID 134928165

IUPAC(3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane
SMILESCCCC[C@H](I)C1O[C@H](C)[C@@H]1C
InChIInChI=1S/C10H19IO/c1-4-5-6-9(11)10-7(2)8(3)12-10/h7-10H,4-6H2,1-3H3/t7-,8+,9-,10?/m0/s1
InChIKeyBKIXOTHDLVLSLC-GFMAATOTSA-N
MW282.17 g/mol
LogP3.40
Rot. Bonds4

About (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane

(3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane (PubChem CID 134928165) has the molecular formula C10H19IO and a molecular weight of 282.17 g/mol. Its IUPAC name is (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane.

Molecular Properties

Compound Name(3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane
PubChem CID134928165
Molecular FormulaC10H19IO
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name(3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane
SMILESCCCC[C@H](I)C1O[C@H](C)[C@@H]1C
InChIInChI=1S/C10H19IO/c1-4-5-6-9(11)10-7(2)8(3)12-10/h7-10H,4-6H2,1-3H3/t7-,8+,9-,10?/m0/s1
InChIKeyBKIXOTHDLVLSLC-GFMAATOTSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane?
The IUPAC name of (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane (CID 134928165) is (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane.
What is the SMILES notation for (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane?
The canonical SMILES for (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane is CCCC[C@H](I)C1O[C@H](C)[C@@H]1C.
What is the InChIKey of (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane?
The InChIKey is BKIXOTHDLVLSLC-GFMAATOTSA-N. The full InChI is InChI=1S/C10H19IO/c1-4-5-6-9(11)10-7(2)8(3)12-10/h7-10H,4-6H2,1-3H3/t7-,8+,9-,10?/m0/s1.
What are the key properties of (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane?
(3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane has a molecular weight of 282.17 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-[(1S)-1-iodopentyl]-3,4-dimethyloxetane is sourced from PubChem (CID 134928165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).