methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

C10H15AlO4 — CID 154548849

IUPACmethyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C([AlH2])CCC2(C1)OCCO2
InChIInChI=1S/C10H13O4.Al.2H/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10;;;/h2,4-7H2,1H3;;;
InChIKeyBXDRHSREGKPPLP-UHFFFAOYSA-N
MW226.21 g/mol
LogP-0.03
Rot. Bonds1

About methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (PubChem CID 154548849) has the molecular formula C10H15AlO4 and a molecular weight of 226.21 g/mol. Its IUPAC name is methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
PubChem CID154548849
Molecular FormulaC10H15AlO4
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Namemethyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)C1=C([AlH2])CCC2(C1)OCCO2
InChIInChI=1S/C10H13O4.Al.2H/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10;;;/h2,4-7H2,1H3;;;
InChIKeyBXDRHSREGKPPLP-UHFFFAOYSA-N
XLogP-0.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The IUPAC name of methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (CID 154548849) is methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is COC(=O)C1=C([AlH2])CCC2(C1)OCCO2.
What is the InChIKey of methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The InChIKey is BXDRHSREGKPPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4.Al.2H/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10;;;/h2,4-7H2,1H3;;;.
What are the key properties of methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate has a molecular weight of 226.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-alumanyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is sourced from PubChem (CID 154548849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).