methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate

C17H26O4 — CID 134509276

IUPACmethyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate
SMILESCOC(=O)C12CCC3(C=C1C(C)C(C)C2)OC(C)C(C)O3
InChIInChI=1S/C17H26O4/c1-10-8-16(15(18)19-5)6-7-17(9-14(16)11(10)2)20-12(3)13(4)21-17/h9-13H,6-8H2,1-5H3
InChIKeyNVTUKSQVELOAMW-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.06
Rot. Bonds1

About methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate

methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate (PubChem CID 134509276) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate.

Molecular Properties

Compound Namemethyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate
PubChem CID134509276
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namemethyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate
SMILESCOC(=O)C12CCC3(C=C1C(C)C(C)C2)OC(C)C(C)O3
InChIInChI=1S/C17H26O4/c1-10-8-16(15(18)19-5)6-7-17(9-14(16)11(10)2)20-12(3)13(4)21-17/h9-13H,6-8H2,1-5H3
InChIKeyNVTUKSQVELOAMW-UHFFFAOYSA-N
XLogP3.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate?
The IUPAC name of methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate (CID 134509276) is methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate.
What is the SMILES notation for methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate?
The canonical SMILES for methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate is COC(=O)C12CCC3(C=C1C(C)C(C)C2)OC(C)C(C)O3.
What is the InChIKey of methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate?
The InChIKey is NVTUKSQVELOAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-10-8-16(15(18)19-5)6-7-17(9-14(16)11(10)2)20-12(3)13(4)21-17/h9-13H,6-8H2,1-5H3.
What are the key properties of methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate?
methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1',2',4,5-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carboxylate is sourced from PubChem (CID 134509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).