(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

C19H38O3Si2 — CID 10690563

IUPAC(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15,17H,13-14H2,1-10H3/t15-,17+/m1/s1
InChIKeyHTCPPCIDPSBRHS-WBVHZDCISA-N
MW370.68 g/mol
LogP5.54
Rot. Bonds5

About (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one

(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (PubChem CID 10690563) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
PubChem CID10690563
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15,17H,13-14H2,1-10H3/t15-,17+/m1/s1
InChIKeyHTCPPCIDPSBRHS-WBVHZDCISA-N
XLogP5.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one (CID 10690563) is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The canonical SMILES for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)OC[C@H]1C=CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
The InChIKey is HTCPPCIDPSBRHS-WBVHZDCISA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-14-15-11-12-16(20)13-17(15)22-24(9,10)19(4,5)6/h11-12,15,17H,13-14H2,1-10H3/t15-,17+/m1/s1.
What are the key properties of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one?
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one has a molecular weight of 370.68 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 10690563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).