4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane

C11H19IO2 — CID 12833940

IUPAC4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCCC1OC(C)(C)OC1/C=C/I
InChIInChI=1S/C11H19IO2/c1-4-5-6-9-10(7-8-12)14-11(2,3)13-9/h7-10H,4-6H2,1-3H3/b8-7+
InChIKeyDPGQPCOOKIYLAE-BQYQJAHWSA-N
MW310.18 g/mol
LogP3.65
Rot. Bonds4

About 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane

4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 12833940) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID12833940
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCCCC1OC(C)(C)OC1/C=C/I
InChIInChI=1S/C11H19IO2/c1-4-5-6-9-10(7-8-12)14-11(2,3)13-9/h7-10H,4-6H2,1-3H3/b8-7+
InChIKeyDPGQPCOOKIYLAE-BQYQJAHWSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane (CID 12833940) is 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane is CCCCC1OC(C)(C)OC1/C=C/I.
What is the InChIKey of 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is DPGQPCOOKIYLAE-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19IO2/c1-4-5-6-9-10(7-8-12)14-11(2,3)13-9/h7-10H,4-6H2,1-3H3/b8-7+.
What are the key properties of 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 310.18 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 12833940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).