6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one

C11H18O6 — CID 134860832

IUPAC6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one
SMILESCOC1C(=O)CC2(OCCO2)C(OC)C1OC
InChIInChI=1S/C11H18O6/c1-13-8-7(12)6-11(16-4-5-17-11)10(15-3)9(8)14-2/h8-10H,4-6H2,1-3H3
InChIKeyIONNYOSLVYPPEM-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.25
Rot. Bonds3

About 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one

6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one (PubChem CID 134860832) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one
PubChem CID134860832
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one
SMILESCOC1C(=O)CC2(OCCO2)C(OC)C1OC
InChIInChI=1S/C11H18O6/c1-13-8-7(12)6-11(16-4-5-17-11)10(15-3)9(8)14-2/h8-10H,4-6H2,1-3H3
InChIKeyIONNYOSLVYPPEM-UHFFFAOYSA-N
XLogP-0.25
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one?
The IUPAC name of 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one (CID 134860832) is 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one.
What is the SMILES notation for 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one?
The canonical SMILES for 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one is COC1C(=O)CC2(OCCO2)C(OC)C1OC.
What is the InChIKey of 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one?
The InChIKey is IONNYOSLVYPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-13-8-7(12)6-11(16-4-5-17-11)10(15-3)9(8)14-2/h8-10H,4-6H2,1-3H3.
What are the key properties of 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one?
6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one has a molecular weight of 246.26 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-1,4-dioxaspiro[4.5]decan-9-one is sourced from PubChem (CID 134860832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).