13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene

C13H20O3 — CID 162442245

IUPAC13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene
SMILESCC1(C)CC2(CC=CO2)CCC12OCCO2
InChIInChI=1S/C13H20O3/c1-11(2)10-12(4-3-7-14-12)5-6-13(11)15-8-9-16-13/h3,7H,4-6,8-10H2,1-2H3
InChIKeyKHJGCHRJRLFZOB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.61
Rot. Bonds

About 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene

13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene (PubChem CID 162442245) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene.

Molecular Properties

Compound Name13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene
PubChem CID162442245
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene
SMILESCC1(C)CC2(CC=CO2)CCC12OCCO2
InChIInChI=1S/C13H20O3/c1-11(2)10-12(4-3-7-14-12)5-6-13(11)15-8-9-16-13/h3,7H,4-6,8-10H2,1-2H3
InChIKeyKHJGCHRJRLFZOB-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene?
The IUPAC name of 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene (CID 162442245) is 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene.
What is the SMILES notation for 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene?
The canonical SMILES for 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene is CC1(C)CC2(CC=CO2)CCC12OCCO2.
What is the InChIKey of 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene?
The InChIKey is KHJGCHRJRLFZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-11(2)10-12(4-3-7-14-12)5-6-13(11)15-8-9-16-13/h3,7H,4-6,8-10H2,1-2H3.
What are the key properties of 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene?
13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene has a molecular weight of 224.30 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-4,9,12-trioxadispiro[4.2.48.25]tetradec-2-ene is sourced from PubChem (CID 162442245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).