9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

C12H22IO2P — CID 122493902

IUPAC9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCC1(C)CC2(CC(C)(C)P1I)OCCCO2
InChIInChI=1S/C12H22IO2P/c1-10(2)8-12(14-6-5-7-15-12)9-11(3,4)16(10)13/h5-9H2,1-4H3
InChIKeyYEAVBLBOBJPEIG-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.30
Rot. Bonds

About 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 122493902) has the molecular formula C12H22IO2P and a molecular weight of 356.18 g/mol. Its IUPAC name is 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID122493902
Molecular FormulaC12H22IO2P
Molecular Weight356.18 g/mol
Exact Mass356.04
IUPAC Name9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCC1(C)CC2(CC(C)(C)P1I)OCCCO2
InChIInChI=1S/C12H22IO2P/c1-10(2)8-12(14-6-5-7-15-12)9-11(3,4)16(10)13/h5-9H2,1-4H3
InChIKeyYEAVBLBOBJPEIG-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 122493902) is 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CC1(C)CC2(CC(C)(C)P1I)OCCCO2.
What is the InChIKey of 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is YEAVBLBOBJPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22IO2P/c1-10(2)8-12(14-6-5-7-15-12)9-11(3,4)16(10)13/h5-9H2,1-4H3.
What are the key properties of 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 356.18 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 122493902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).