2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde

C26H40O5Si — CID 58952615

IUPAC2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)C(=O)CCC1C1CCC2=CC3(CCC2=C1C=O)OCCO3
InChIInChI=1S/C26H40O5Si/c1-24(2,3)32(5,6)31-17-25(4)22(9-10-23(25)28)20-8-7-18-15-26(29-13-14-30-26)12-11-19(18)21(20)16-27/h15-16,20,22H,7-14,17H2,1-6H3/t20?,22?,25-/m0/s1
InChIKeyLVIPKCFLGUTKLY-YNJPUODISA-N
MW460.69 g/mol
LogP5.36
Rot. Bonds5

About 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde

2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde (PubChem CID 58952615) has the molecular formula C26H40O5Si and a molecular weight of 460.69 g/mol. Its IUPAC name is 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde.

Molecular Properties

Compound Name2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde
PubChem CID58952615
Molecular FormulaC26H40O5Si
Molecular Weight460.69 g/mol
Exact Mass460.26
IUPAC Name2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)C(=O)CCC1C1CCC2=CC3(CCC2=C1C=O)OCCO3
InChIInChI=1S/C26H40O5Si/c1-24(2,3)32(5,6)31-17-25(4)22(9-10-23(25)28)20-8-7-18-15-26(29-13-14-30-26)12-11-19(18)21(20)16-27/h15-16,20,22H,7-14,17H2,1-6H3/t20?,22?,25-/m0/s1
InChIKeyLVIPKCFLGUTKLY-YNJPUODISA-N
XLogP5.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
The IUPAC name of 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde (CID 58952615) is 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde.
What is the SMILES notation for 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
The canonical SMILES for 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@]1(C)C(=O)CCC1C1CCC2=CC3(CCC2=C1C=O)OCCO3.
What is the InChIKey of 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
The InChIKey is LVIPKCFLGUTKLY-YNJPUODISA-N. The full InChI is InChI=1S/C26H40O5Si/c1-24(2,3)32(5,6)31-17-25(4)22(9-10-23(25)28)20-8-7-18-15-26(29-13-14-30-26)12-11-19(18)21(20)16-27/h15-16,20,22H,7-14,17H2,1-6H3/t20?,22?,25-/m0/s1.
What are the key properties of 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde?
2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde has a molecular weight of 460.69 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-3-oxocyclopentyl]spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-carbaldehyde is sourced from PubChem (CID 58952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).