5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane

C10H19IO2 — CID 19373320

IUPAC5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane
SMILESCCCC1(CI)COC(C)(C)OC1
InChIInChI=1S/C10H19IO2/c1-4-5-10(6-11)7-12-9(2,3)13-8-10/h4-8H2,1-3H3
InChIKeyATAYNPYSOLPXNY-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.99
Rot. Bonds3

About 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane

5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane (PubChem CID 19373320) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane
PubChem CID19373320
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane
SMILESCCCC1(CI)COC(C)(C)OC1
InChIInChI=1S/C10H19IO2/c1-4-5-10(6-11)7-12-9(2,3)13-8-10/h4-8H2,1-3H3
InChIKeyATAYNPYSOLPXNY-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.99
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 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane?
The IUPAC name of 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane (CID 19373320) is 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane?
The canonical SMILES for 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane is CCCC1(CI)COC(C)(C)OC1.
What is the InChIKey of 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane?
The InChIKey is ATAYNPYSOLPXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO2/c1-4-5-10(6-11)7-12-9(2,3)13-8-10/h4-8H2,1-3H3.
What are the key properties of 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane?
5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane has a molecular weight of 298.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 19373320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).