8,11-dioxadispiro[3.2.47.24]tridecan-2-one

C11H16O3 — CID 118275464

IUPAC8,11-dioxadispiro[3.2.47.24]tridecan-2-one
SMILESO=C1CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C11H16O3/c12-9-7-10(8-9)1-3-11(4-2-10)13-5-6-14-11/h1-8H2
InChIKeyUJDRCIGJTJWCOX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.65
Rot. Bonds

About 8,11-dioxadispiro[3.2.47.24]tridecan-2-one

8,11-dioxadispiro[3.2.47.24]tridecan-2-one (PubChem CID 118275464) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 8,11-dioxadispiro[3.2.47.24]tridecan-2-one.

Molecular Properties

Compound Name8,11-dioxadispiro[3.2.47.24]tridecan-2-one
PubChem CID118275464
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name8,11-dioxadispiro[3.2.47.24]tridecan-2-one
SMILESO=C1CC2(CCC3(CC2)OCCO3)C1
InChIInChI=1S/C11H16O3/c12-9-7-10(8-9)1-3-11(4-2-10)13-5-6-14-11/h1-8H2
InChIKeyUJDRCIGJTJWCOX-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,11-dioxadispiro[3.2.47.24]tridecan-2-one?
The IUPAC name of 8,11-dioxadispiro[3.2.47.24]tridecan-2-one (CID 118275464) is 8,11-dioxadispiro[3.2.47.24]tridecan-2-one.
What is the SMILES notation for 8,11-dioxadispiro[3.2.47.24]tridecan-2-one?
The canonical SMILES for 8,11-dioxadispiro[3.2.47.24]tridecan-2-one is O=C1CC2(CCC3(CC2)OCCO3)C1.
What is the InChIKey of 8,11-dioxadispiro[3.2.47.24]tridecan-2-one?
The InChIKey is UJDRCIGJTJWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-7-10(8-9)1-3-11(4-2-10)13-5-6-14-11/h1-8H2.
What are the key properties of 8,11-dioxadispiro[3.2.47.24]tridecan-2-one?
8,11-dioxadispiro[3.2.47.24]tridecan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dioxadispiro[3.2.47.24]tridecan-2-one is sourced from PubChem (CID 118275464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).