7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one

C12H16O3 — CID 11095825

IUPAC7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one
SMILESO=C1C=CCC12CCCCC21OCCO1
InChIInChI=1S/C12H16O3/c13-10-4-3-6-11(10)5-1-2-7-12(11)14-8-9-15-12/h3-4H,1-2,5-9H2
InChIKeyQUALIDFGOPWASC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds

About 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one

7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one (PubChem CID 11095825) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one.

Molecular Properties

Compound Name7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one
PubChem CID11095825
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one
SMILESO=C1C=CCC12CCCCC21OCCO1
InChIInChI=1S/C12H16O3/c13-10-4-3-6-11(10)5-1-2-7-12(11)14-8-9-15-12/h3-4H,1-2,5-9H2
InChIKeyQUALIDFGOPWASC-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one?
The IUPAC name of 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one (CID 11095825) is 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one.
What is the SMILES notation for 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one?
The canonical SMILES for 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one is O=C1C=CCC12CCCCC21OCCO1.
What is the InChIKey of 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one?
The InChIKey is QUALIDFGOPWASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-10-4-3-6-11(10)5-1-2-7-12(11)14-8-9-15-12/h3-4H,1-2,5-9H2.
What are the key properties of 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one?
7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-one is sourced from PubChem (CID 11095825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).