2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one

C11H16O3 — CID 101202244

IUPAC2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1(C)OC2(C=CC(=O)C2)OC1(C)C
InChIInChI=1S/C11H16O3/c1-9(2)10(3,4)14-11(13-9)6-5-8(12)7-11/h5-6H,7H2,1-4H3
InChIKeyKLFBTAVIJLMJJS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds

About 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one

2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 101202244) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID101202244
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1(C)OC2(C=CC(=O)C2)OC1(C)C
InChIInChI=1S/C11H16O3/c1-9(2)10(3,4)14-11(13-9)6-5-8(12)7-11/h5-6H,7H2,1-4H3
InChIKeyKLFBTAVIJLMJJS-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 101202244) is 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one is CC1(C)OC2(C=CC(=O)C2)OC1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is KLFBTAVIJLMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(2)10(3,4)14-11(13-9)6-5-8(12)7-11/h5-6H,7H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 196.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 101202244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).