2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene

C28H44O8 — CID 144898483

IUPAC2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
SMILESC1=CC2(CCC13OCCO3)OCCO2.CC1(C)OC2(C=CC3(CC2)OC(C)(C)C(C)(C)O3)OC1(C)C
InChIInChI=1S/C18H30O4.C10H14O4/c1-13(2)14(3,4)20-17(19-13)9-11-18(12-10-17)21-15(5,6)16(7,8)22-18;1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h9,11H,10,12H2,1-8H3;1-2H,3-8H2
InChIKeyWWHIOLVTEFSPBU-UHFFFAOYSA-N
MW508.65 g/mol
LogP4.76
Rot. Bonds

About 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene

2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene (PubChem CID 144898483) has the molecular formula C28H44O8 and a molecular weight of 508.65 g/mol. Its IUPAC name is 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene.

Molecular Properties

Compound Name2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
PubChem CID144898483
Molecular FormulaC28H44O8
Molecular Weight508.65 g/mol
Exact Mass508.30
IUPAC Name2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
SMILESC1=CC2(CCC13OCCO3)OCCO2.CC1(C)OC2(C=CC3(CC2)OC(C)(C)C(C)(C)O3)OC1(C)C
InChIInChI=1S/C18H30O4.C10H14O4/c1-13(2)14(3,4)20-17(19-13)9-11-18(12-10-17)21-15(5,6)16(7,8)22-18;1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h9,11H,10,12H2,1-8H3;1-2H,3-8H2
InChIKeyWWHIOLVTEFSPBU-UHFFFAOYSA-N
XLogP4.76
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.65
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene with MolForge

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Related Compounds

2,2,3,3,10,10,11,11-Octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
CID 118300374
2,2,3,3,10,10,11,11,13,14-Decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;13,14-dimethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;3,3,6,6-tetramethoxy-1,2-dimethylcyclohexene
CID 161166252

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
The IUPAC name of 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene (CID 144898483) is 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene.
What is the SMILES notation for 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
The canonical SMILES for 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene is C1=CC2(CCC13OCCO3)OCCO2.CC1(C)OC2(C=CC3(CC2)OC(C)(C)C(C)(C)O3)OC1(C)C.
What is the InChIKey of 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
The InChIKey is WWHIOLVTEFSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4.C10H14O4/c1-13(2)14(3,4)20-17(19-13)9-11-18(12-10-17)21-15(5,6)16(7,8)22-18;1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h9,11H,10,12H2,1-8H3;1-2H,3-8H2.
What are the key properties of 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene has a molecular weight of 508.65 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene;1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene is sourced from PubChem (CID 144898483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).