3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

C14H20O3 — CID 71130717

IUPAC3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC1=CC2(OCC(C)(C)CO2)C(C)=C(C)C1=O
InChIInChI=1S/C14H20O3/c1-9-6-14(11(3)10(2)12(9)15)16-7-13(4,5)8-17-14/h6H,7-8H2,1-5H3
InChIKeyWDUVGLHTUUOJJI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.62
Rot. Bonds

About 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (PubChem CID 71130717) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.

Molecular Properties

Compound Name3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
PubChem CID71130717
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC1=CC2(OCC(C)(C)CO2)C(C)=C(C)C1=O
InChIInChI=1S/C14H20O3/c1-9-6-14(11(3)10(2)12(9)15)16-7-13(4,5)8-17-14/h6H,7-8H2,1-5H3
InChIKeyWDUVGLHTUUOJJI-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The IUPAC name of 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (CID 71130717) is 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.
What is the SMILES notation for 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The canonical SMILES for 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is CC1=CC2(OCC(C)(C)CO2)C(C)=C(C)C1=O.
What is the InChIKey of 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The InChIKey is WDUVGLHTUUOJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-6-14(11(3)10(2)12(9)15)16-7-13(4,5)8-17-14/h6H,7-8H2,1-5H3.
What are the key properties of 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one has a molecular weight of 236.31 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,10,11-pentamethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is sourced from PubChem (CID 71130717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).