7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane

C9H14I2O2 — CID 13235318

IUPAC7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILESICC1CC2(CC1CI)OCCO2
InChIInChI=1S/C9H14I2O2/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8H,1-6H2
InChIKeyLAEANFWFDOGKRM-UHFFFAOYSA-N
MW408.02 g/mol
LogP2.63
Rot. Bonds2

About 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane

7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane (PubChem CID 13235318) has the molecular formula C9H14I2O2 and a molecular weight of 408.02 g/mol. Its IUPAC name is 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane
PubChem CID13235318
Molecular FormulaC9H14I2O2
Molecular Weight408.02 g/mol
Exact Mass407.91
IUPAC Name7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILESICC1CC2(CC1CI)OCCO2
InChIInChI=1S/C9H14I2O2/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8H,1-6H2
InChIKeyLAEANFWFDOGKRM-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.02
LogP ≤ 52.63
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 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane (CID 13235318) is 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane is ICC1CC2(CC1CI)OCCO2.
What is the InChIKey of 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The InChIKey is LAEANFWFDOGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14I2O2/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8H,1-6H2.
What are the key properties of 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane has a molecular weight of 408.02 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 13235318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).