3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one

C13H18O3 — CID 102579493

IUPAC3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC1=CC2(C=C(C)C1=O)COC(C)(C)OC2
InChIInChI=1S/C13H18O3/c1-9-5-13(6-10(2)11(9)14)7-15-12(3,4)16-8-13/h5-6H,7-8H2,1-4H3
InChIKeyNPZSNBBCERIBBU-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.23
Rot. Bonds

About 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one

3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one (PubChem CID 102579493) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one.

Molecular Properties

Compound Name3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one
PubChem CID102579493
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC1=CC2(C=C(C)C1=O)COC(C)(C)OC2
InChIInChI=1S/C13H18O3/c1-9-5-13(6-10(2)11(9)14)7-15-12(3,4)16-8-13/h5-6H,7-8H2,1-4H3
InChIKeyNPZSNBBCERIBBU-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.23
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-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The IUPAC name of 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one (CID 102579493) is 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one.
What is the SMILES notation for 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The canonical SMILES for 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one is CC1=CC2(C=C(C)C1=O)COC(C)(C)OC2.
What is the InChIKey of 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The InChIKey is NPZSNBBCERIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-5-13(6-10(2)11(9)14)7-15-12(3,4)16-8-13/h5-6H,7-8H2,1-4H3.
What are the key properties of 3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one?
3,3,8,10-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one has a molecular weight of 222.28 g/mol, XLogP of 2.23, 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-tetramethyl-2,4-dioxaspiro[5.5]undeca-7,10-dien-9-one is sourced from PubChem (CID 102579493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).