4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene

C13H18O2 — CID 25059054

IUPAC4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene
SMILESCC1=CC=CC12CCC1(CC2)OCCO1
InChIInChI=1S/C13H18O2/c1-11-3-2-4-12(11)5-7-13(8-6-12)14-9-10-15-13/h2-4H,5-10H2,1H3
InChIKeyVKLIONSWOHUUEZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.81
Rot. Bonds

About 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene

4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene (PubChem CID 25059054) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene.

Molecular Properties

Compound Name4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene
PubChem CID25059054
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene
SMILESCC1=CC=CC12CCC1(CC2)OCCO1
InChIInChI=1S/C13H18O2/c1-11-3-2-4-12(11)5-7-13(8-6-12)14-9-10-15-13/h2-4H,5-10H2,1H3
InChIKeyVKLIONSWOHUUEZ-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene?
The IUPAC name of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene (CID 25059054) is 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene.
What is the SMILES notation for 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene?
The canonical SMILES for 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene is CC1=CC=CC12CCC1(CC2)OCCO1.
What is the InChIKey of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene?
The InChIKey is VKLIONSWOHUUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11-3-2-4-12(11)5-7-13(8-6-12)14-9-10-15-13/h2-4H,5-10H2,1H3.
What are the key properties of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene?
4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene has a molecular weight of 206.28 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradeca-1,3-diene is sourced from PubChem (CID 25059054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).