8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane

C11H18O6 — CID 134860901

IUPAC8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane
SMILESC=C1OC2(OCCO2)C(OC)C(OC)C1OC
InChIInChI=1S/C11H18O6/c1-7-8(12-2)9(13-3)10(14-4)11(17-7)15-5-6-16-11/h8-10H,1,5-6H2,2-4H3
InChIKeyBLYSVSDKHSYYMO-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.28
Rot. Bonds3

About 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane

8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane (PubChem CID 134860901) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane
PubChem CID134860901
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane
SMILESC=C1OC2(OCCO2)C(OC)C(OC)C1OC
InChIInChI=1S/C11H18O6/c1-7-8(12-2)9(13-3)10(14-4)11(17-7)15-5-6-16-11/h8-10H,1,5-6H2,2-4H3
InChIKeyBLYSVSDKHSYYMO-UHFFFAOYSA-N
XLogP0.28
TPSA55.38 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 ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane?
The IUPAC name of 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane (CID 134860901) is 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane.
What is the SMILES notation for 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane?
The canonical SMILES for 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane is C=C1OC2(OCCO2)C(OC)C(OC)C1OC.
What is the InChIKey of 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane?
The InChIKey is BLYSVSDKHSYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-7-8(12-2)9(13-3)10(14-4)11(17-7)15-5-6-16-11/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane?
8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane has a molecular weight of 246.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-trimethoxy-7-methylidene-1,4,6-trioxaspiro[4.5]decane is sourced from PubChem (CID 134860901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).