7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one

C11H14O3 — CID 11106230

IUPAC7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one
SMILESO=C1C=CCC12CCCC21OCCO1
InChIInChI=1S/C11H14O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3H,2,4-8H2
InChIKeyWNRPNRJYFZNRMQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.43
Rot. Bonds

About 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one

7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one (PubChem CID 11106230) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one.

Molecular Properties

Compound Name7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one
PubChem CID11106230
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one
SMILESO=C1C=CCC12CCCC21OCCO1
InChIInChI=1S/C11H14O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3H,2,4-8H2
InChIKeyWNRPNRJYFZNRMQ-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one?
The IUPAC name of 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one (CID 11106230) is 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one.
What is the SMILES notation for 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one?
The canonical SMILES for 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one is O=C1C=CCC12CCCC21OCCO1.
What is the InChIKey of 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one?
The InChIKey is WNRPNRJYFZNRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3H,2,4-8H2.
What are the key properties of 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one?
7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-one is sourced from PubChem (CID 11106230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).