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

C18H30O4 — CID 118300374

IUPAC2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
SMILESCC1(C)OC2(C=CC3(CC2)OC(C)(C)C(C)(C)O3)OC1(C)C
InChIInChI=1S/C18H30O4/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/h9,11H,10,12H2,1-8H3
InChIKeyXRSCKEDNGQQEGE-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.94
Rot. Bonds

About 2,2,3,3,10,10,11,11-octamethyl-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 (PubChem CID 118300374) has the molecular formula C18H30O4 and a molecular weight of 310.43 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.

Molecular Properties

Compound Name2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
PubChem CID118300374
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
SMILESCC1(C)OC2(C=CC3(CC2)OC(C)(C)C(C)(C)O3)OC1(C)C
InChIInChI=1S/C18H30O4/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/h9,11H,10,12H2,1-8H3
InChIKeyXRSCKEDNGQQEGE-UHFFFAOYSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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?
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 (CID 118300374) is 2,2,3,3,10,10,11,11-octamethyl-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?
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 is 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?
The InChIKey is XRSCKEDNGQQEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/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/h9,11H,10,12H2,1-8H3.
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?
2,2,3,3,10,10,11,11-octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene has a molecular weight of 310.43 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 118300374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).