2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane

C18H29O4PSe — CID 12901866

IUPAC2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane
SMILESCC1(C)OP2([Se]c3ccccc3)(OC1(C)C)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C18H29O4PSe/c1-15(2)16(3,4)20-23(19-15,24-14-12-10-9-11-13-14)21-17(5,6)18(7,8)22-23/h9-13H,1-8H3
InChIKeyBODZCCHTHULGKM-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.35
Rot. Bonds2

About 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane

2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane (PubChem CID 12901866) has the molecular formula C18H29O4PSe and a molecular weight of 419.36 g/mol. Its IUPAC name is 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane.

Molecular Properties

Compound Name2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane
PubChem CID12901866
Molecular FormulaC18H29O4PSe
Molecular Weight419.36 g/mol
Exact Mass420.10
IUPAC Name2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane
SMILESCC1(C)OP2([Se]c3ccccc3)(OC1(C)C)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C18H29O4PSe/c1-15(2)16(3,4)20-23(19-15,24-14-12-10-9-11-13-14)21-17(5,6)18(7,8)22-23/h9-13H,1-8H3
InChIKeyBODZCCHTHULGKM-UHFFFAOYSA-N
XLogP4.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 139798019
CID 139798019
2-methyl-2-(phenylselanylmethyl)oxirane
CID 12911171
propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 154665724
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
phenylselanylbenzene;dihydrochloride
CID 87206847
phenylselanylbenzene;dihydrochloride
CID 173104242
methoxyselanylbenzene
CID 12890880
tert-butylselanylbenzene
CID 11171880
trimethyl-[(E)-2-phenylselanyl-2-phenylsulfanylethenyl]silane
CID 134933158
phenyl selenohypochlorite
CID 21928
phenylselanylphosphane
CID 141347501
2,4,4,5,5-pentamethyl-2-phenyl-1,3-dioxa-2-boranuidacyclopentane
CID 10751693

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane?
The IUPAC name of 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane (CID 12901866) is 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane.
What is the SMILES notation for 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane?
The canonical SMILES for 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane is CC1(C)OP2([Se]c3ccccc3)(OC1(C)C)OC(C)(C)C(C)(C)O2.
What is the InChIKey of 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane?
The InChIKey is BODZCCHTHULGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O4PSe/c1-15(2)16(3,4)20-23(19-15,24-14-12-10-9-11-13-14)21-17(5,6)18(7,8)22-23/h9-13H,1-8H3.
What are the key properties of 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane?
2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane has a molecular weight of 419.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,7,7,8,8-octamethyl-5-phenylselanyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane is sourced from PubChem (CID 12901866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).