12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one

C11H12O2 — CID 67694417

IUPAC12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one
SMILESO=C1C=CC2(C=C1)CC1(CCC1)O2
InChIInChI=1S/C11H12O2/c12-9-2-6-11(7-3-9)8-10(13-11)4-1-5-10/h2-3,6-7H,1,4-5,8H2
InChIKeyHHBGSCABSPUXMR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds

About 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one

12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one (PubChem CID 67694417) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one.

Molecular Properties

Compound Name12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one
PubChem CID67694417
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one
SMILESO=C1C=CC2(C=C1)CC1(CCC1)O2
InChIInChI=1S/C11H12O2/c12-9-2-6-11(7-3-9)8-10(13-11)4-1-5-10/h2-3,6-7H,1,4-5,8H2
InChIKeyHHBGSCABSPUXMR-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one?
The IUPAC name of 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one (CID 67694417) is 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one.
What is the SMILES notation for 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one?
The canonical SMILES for 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one is O=C1C=CC2(C=C1)CC1(CCC1)O2.
What is the InChIKey of 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one?
The InChIKey is HHBGSCABSPUXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-9-2-6-11(7-3-9)8-10(13-11)4-1-5-10/h2-3,6-7H,1,4-5,8H2.
What are the key properties of 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one?
12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one has a molecular weight of 176.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxadispiro[3.1.56.14]dodeca-7,10-dien-9-one is sourced from PubChem (CID 67694417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).