methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate

C16H26O4 — CID 102007340

IUPACmethyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
SMILESC=C1CCC2(OCC(C)(C)CO2)C(C)(C)C1C(=O)OC
InChIInChI=1S/C16H26O4/c1-11-7-8-16(19-9-14(2,3)10-20-16)15(4,5)12(11)13(17)18-6/h12H,1,7-10H2,2-6H3
InChIKeyOHWLORCJOJHQQO-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.92
Rot. Bonds1

About methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate

methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate (PubChem CID 102007340) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate.

Molecular Properties

Compound Namemethyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
PubChem CID102007340
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Namemethyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate
SMILESC=C1CCC2(OCC(C)(C)CO2)C(C)(C)C1C(=O)OC
InChIInChI=1S/C16H26O4/c1-11-7-8-16(19-9-14(2,3)10-20-16)15(4,5)12(11)13(17)18-6/h12H,1,7-10H2,2-6H3
InChIKeyOHWLORCJOJHQQO-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate?
The IUPAC name of methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate (CID 102007340) is methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate.
What is the SMILES notation for methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate?
The canonical SMILES for methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate is C=C1CCC2(OCC(C)(C)CO2)C(C)(C)C1C(=O)OC.
What is the InChIKey of methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate?
The InChIKey is OHWLORCJOJHQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-11-7-8-16(19-9-14(2,3)10-20-16)15(4,5)12(11)13(17)18-6/h12H,1,7-10H2,2-6H3.
What are the key properties of methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate?
methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,11,11-tetramethyl-9-methylidene-1,5-dioxaspiro[5.5]undecane-10-carboxylate is sourced from PubChem (CID 102007340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).