(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane

C9H15IO2 — CID 66849166

IUPAC(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CC2(I)CC2)O1
InChIInChI=1S/C9H15IO2/c1-8(2)11-6-7(12-8)5-9(10)3-4-9/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyQXHGDAZVUPAABN-ZETCQYMHSA-N
MW282.12 g/mol
LogP2.50
Rot. Bonds2

About (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 66849166) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID66849166
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CC2(I)CC2)O1
InChIInChI=1S/C9H15IO2/c1-8(2)11-6-7(12-8)5-9(10)3-4-9/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyQXHGDAZVUPAABN-ZETCQYMHSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane (CID 66849166) is (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](CC2(I)CC2)O1.
What is the InChIKey of (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is QXHGDAZVUPAABN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15IO2/c1-8(2)11-6-7(12-8)5-9(10)3-4-9/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 282.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1-iodocyclopropyl)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 66849166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).