2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene

C20H34O4 — CID 123451325

IUPAC2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
SMILESCC1=C(C)C2(CCC13OC(C)(C)C(C)(C)O3)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C20H34O4/c1-13-14(2)20(23-17(7,8)18(9,10)24-20)12-11-19(13)21-15(3,4)16(5,6)22-19/h11-12H2,1-10H3
InChIKeyQDSUTANXQHAAKP-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.72
Rot. Bonds

About 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene

2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene (PubChem CID 123451325) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene.

Molecular Properties

Compound Name2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
PubChem CID123451325
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
SMILESCC1=C(C)C2(CCC13OC(C)(C)C(C)(C)O3)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C20H34O4/c1-13-14(2)20(23-17(7,8)18(9,10)24-20)12-11-19(13)21-15(3,4)16(5,6)22-19/h11-12H2,1-10H3
InChIKeyQDSUTANXQHAAKP-UHFFFAOYSA-N
XLogP4.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.72
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 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
The IUPAC name of 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene (CID 123451325) is 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene.
What is the SMILES notation for 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
The canonical SMILES for 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene is CC1=C(C)C2(CCC13OC(C)(C)C(C)(C)O3)OC(C)(C)C(C)(C)O2.
What is the InChIKey of 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
The InChIKey is QDSUTANXQHAAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-13-14(2)20(23-17(7,8)18(9,10)24-20)12-11-19(13)21-15(3,4)16(5,6)22-19/h11-12H2,1-10H3.
What are the key properties of 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene?
2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene has a molecular weight of 338.49 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,10,10,11,11,13,14-decamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene is sourced from PubChem (CID 123451325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).