8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one

C27H46O4Si2 — CID 22666576

IUPAC8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC3(CCC(=O)O3)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C27H46O4Si2/c1-25(2,3)32(7,8)30-21-11-12-22(23(19-21)31-33(9,10)26(4,5)6)20-13-16-27(17-14-20)18-15-24(28)29-27/h11-12,19-20H,13-18H2,1-10H3
InChIKeyGNUDWBSOFSFTQF-UHFFFAOYSA-N
MW490.83 g/mol
LogP8.19
Rot. Bonds5

About 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one

8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one (PubChem CID 22666576) has the molecular formula C27H46O4Si2 and a molecular weight of 490.83 g/mol. Its IUPAC name is 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one
PubChem CID22666576
Molecular FormulaC27H46O4Si2
Molecular Weight490.83 g/mol
Exact Mass490.29
IUPAC Name8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC3(CCC(=O)O3)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C27H46O4Si2/c1-25(2,3)32(7,8)30-21-11-12-22(23(19-21)31-33(9,10)26(4,5)6)20-13-16-27(17-14-20)18-15-24(28)29-27/h11-12,19-20H,13-18H2,1-10H3
InChIKeyGNUDWBSOFSFTQF-UHFFFAOYSA-N
XLogP8.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one (CID 22666576) is 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one is CC(C)(C)[Si](C)(C)Oc1ccc(C2CCC3(CCC(=O)O3)CC2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one?
The InChIKey is GNUDWBSOFSFTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O4Si2/c1-25(2,3)32(7,8)30-21-11-12-22(23(19-21)31-33(9,10)26(4,5)6)20-13-16-27(17-14-20)18-15-24(28)29-27/h11-12,19-20H,13-18H2,1-10H3.
What are the key properties of 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one?
8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one has a molecular weight of 490.83 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 22666576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).