6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C11H14O3 — CID 14572627

IUPAC6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(OCCO2)C(C)=C(C)C1=O
InChIInChI=1S/C11H14O3/c1-7-6-11(13-4-5-14-11)9(3)8(2)10(7)12/h6H,4-5H2,1-3H3
InChIKeyIBZPEPCFULVVPL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds

About 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 14572627) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID14572627
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(OCCO2)C(C)=C(C)C1=O
InChIInChI=1S/C11H14O3/c1-7-6-11(13-4-5-14-11)9(3)8(2)10(7)12/h6H,4-5H2,1-3H3
InChIKeyIBZPEPCFULVVPL-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 14572627) is 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC1=CC2(OCCO2)C(C)=C(C)C1=O.
What is the InChIKey of 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is IBZPEPCFULVVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-6-11(13-4-5-14-11)9(3)8(2)10(7)12/h6H,4-5H2,1-3H3.
What are the key properties of 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,9-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 14572627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).