8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane

C7H10O4 — CID 12045351

IUPAC8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane
SMILESC=C1COC2(OCC(C)O2)O1
InChIInChI=1S/C7H10O4/c1-5-3-8-7(10-5)9-4-6(2)11-7/h6H,1,3-4H2,2H3
InChIKeyQGJYDLCQUQSZKT-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.59
Rot. Bonds

About 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane

8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane (PubChem CID 12045351) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane.

Molecular Properties

Compound Name8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane
PubChem CID12045351
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane
SMILESC=C1COC2(OCC(C)O2)O1
InChIInChI=1S/C7H10O4/c1-5-3-8-7(10-5)9-4-6(2)11-7/h6H,1,3-4H2,2H3
InChIKeyQGJYDLCQUQSZKT-UHFFFAOYSA-N
XLogP0.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane?
The IUPAC name of 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane (CID 12045351) is 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane.
What is the SMILES notation for 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane?
The canonical SMILES for 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane is C=C1COC2(OCC(C)O2)O1.
What is the InChIKey of 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane?
The InChIKey is QGJYDLCQUQSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5-3-8-7(10-5)9-4-6(2)11-7/h6H,1,3-4H2,2H3.
What are the key properties of 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane?
8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane has a molecular weight of 158.15 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-methylidene-1,4,6,9-tetraoxaspiro[4.4]nonane is sourced from PubChem (CID 12045351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).