8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane

C14H17IO2 — CID 59950180

IUPAC8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane
SMILESIc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H17IO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2
InChIKeyDLIFRBLSPPEKLY-UHFFFAOYSA-N
MW344.19 g/mol
LogP3.69
Rot. Bonds1

About 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane

8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 59950180) has the molecular formula C14H17IO2 and a molecular weight of 344.19 g/mol. Its IUPAC name is 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID59950180
Molecular FormulaC14H17IO2
Molecular Weight344.19 g/mol
Exact Mass344.03
IUPAC Name8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane
SMILESIc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H17IO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2
InChIKeyDLIFRBLSPPEKLY-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 53.69
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 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane (CID 59950180) is 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane is Ic1ccc(C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is DLIFRBLSPPEKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2.
What are the key properties of 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane?
8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 344.19 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-iodophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 59950180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).