(2R)-2-[(1R)-1-iodobutyl]oxolane

C8H15IO — CID 71377068

IUPAC(2R)-2-[(1R)-1-iodobutyl]oxolane
SMILESCCC[C@@H](I)[C@H]1CCCO1
InChIInChI=1S/C8H15IO/c1-2-4-7(9)8-5-3-6-10-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeySIYWRERHWOGRDG-HTQZYQBOSA-N
MW254.11 g/mol
LogP2.77
Rot. Bonds3

About (2R)-2-[(1R)-1-iodobutyl]oxolane

(2R)-2-[(1R)-1-iodobutyl]oxolane (PubChem CID 71377068) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-iodobutyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-iodobutyl]oxolane
PubChem CID71377068
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name(2R)-2-[(1R)-1-iodobutyl]oxolane
SMILESCCC[C@@H](I)[C@H]1CCCO1
InChIInChI=1S/C8H15IO/c1-2-4-7(9)8-5-3-6-10-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeySIYWRERHWOGRDG-HTQZYQBOSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.77
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-iodobutyl]oxolane?
The IUPAC name of (2R)-2-[(1R)-1-iodobutyl]oxolane (CID 71377068) is (2R)-2-[(1R)-1-iodobutyl]oxolane.
What is the SMILES notation for (2R)-2-[(1R)-1-iodobutyl]oxolane?
The canonical SMILES for (2R)-2-[(1R)-1-iodobutyl]oxolane is CCC[C@@H](I)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[(1R)-1-iodobutyl]oxolane?
The InChIKey is SIYWRERHWOGRDG-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15IO/c1-2-4-7(9)8-5-3-6-10-8/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-iodobutyl]oxolane?
(2R)-2-[(1R)-1-iodobutyl]oxolane has a molecular weight of 254.11 g/mol, XLogP of 2.77, 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-iodobutyl]oxolane is sourced from PubChem (CID 71377068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).