(2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane

C9H17IO — CID 134963790

IUPAC(2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane
SMILESCCC(C)[C@@H](I)[C@H]1CCCO1
InChIInChI=1S/C9H17IO/c1-3-7(2)9(10)8-5-4-6-11-8/h7-9H,3-6H2,1-2H3/t7?,8-,9-/m1/s1
InChIKeyFKCKWCLCCWWDBJ-CFCGPWAMSA-N
MW268.14 g/mol
LogP3.02
Rot. Bonds3

About (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane

(2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane (PubChem CID 134963790) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane
PubChem CID134963790
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name(2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane
SMILESCCC(C)[C@@H](I)[C@H]1CCCO1
InChIInChI=1S/C9H17IO/c1-3-7(2)9(10)8-5-4-6-11-8/h7-9H,3-6H2,1-2H3/t7?,8-,9-/m1/s1
InChIKeyFKCKWCLCCWWDBJ-CFCGPWAMSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.02
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)-2-[(1R)-1-iodo-2-methylbutyl]oxolane?
The IUPAC name of (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane (CID 134963790) is (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane.
What is the SMILES notation for (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane?
The canonical SMILES for (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane is CCC(C)[C@@H](I)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane?
The InChIKey is FKCKWCLCCWWDBJ-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H17IO/c1-3-7(2)9(10)8-5-4-6-11-8/h7-9H,3-6H2,1-2H3/t7?,8-,9-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane?
(2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane has a molecular weight of 268.14 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-iodo-2-methylbutyl]oxolane is sourced from PubChem (CID 134963790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).