(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one

C25H52O3Si2 — CID 101396006

IUPAC(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one
SMILESC=CCC(=O)CCC[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52O3Si2/c1-11-16-24(26)17-15-18-25(28-29(12-2,13-3)14-4)19-20-27-30(21(5)6,22(7)8)23(9)10/h11,21-23,25H,1,12-20H2,2-10H3/t25-/m0/s1
InChIKeyXLZOSODXFCFIFW-VWLOTQADSA-N
MW456.86 g/mol
LogP8.27
Rot. Bonds18

About (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one

(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one (PubChem CID 101396006) has the molecular formula C25H52O3Si2 and a molecular weight of 456.86 g/mol. Its IUPAC name is (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one.

Molecular Properties

Compound Name(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one
PubChem CID101396006
Molecular FormulaC25H52O3Si2
Molecular Weight456.86 g/mol
Exact Mass456.35
IUPAC Name(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one
SMILESC=CCC(=O)CCC[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C25H52O3Si2/c1-11-16-24(26)17-15-18-25(28-29(12-2,13-3)14-4)19-20-27-30(21(5)6,22(7)8)23(9)10/h11,21-23,25H,1,12-20H2,2-10H3/t25-/m0/s1
InChIKeyXLZOSODXFCFIFW-VWLOTQADSA-N
XLogP8.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxynon-8-en-2-one
CID 11044811
9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
(E)-7-[diethyl(prop-1-en-2-yl)silyl]oxy-10-hydroxydec-9-en-2-one
CID 140328619
(7R,9Z,26Z,29R)-7,29-bis[[tert-butyl(dimethyl)silyl]oxy]pentatriaconta-9,26-dien-18-one
CID 140736953
1-[Tert-butyl(dimethyl)silyl]oxyheptadeca-12,16-dien-5-one
CID 153721307
7-Triethylsilyloxyundec-1-en-3-one
CID 163288975
6-Triethylsilyloxytridec-1-en-3-one
CID 163288977
1-[Tert-butyl(dimethyl)silyl]oxytetradec-13-en-5-one
CID 168962230
(7R,29R)-7,29-bis[[tert-butyl(dimethyl)silyl]oxy]pentatriaconta-9,26-dien-18-one
CID 173634058
6-[Tert-butyl(dimethyl)silyl]oxydodec-1-en-5-one
CID 10245032
8-[Tert-butyl(dimethyl)silyl]oxydec-9-enal
CID 10589156

Frequently Asked Questions

What is the IUPAC name of (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one?
The IUPAC name of (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one (CID 101396006) is (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one.
What is the SMILES notation for (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one?
The canonical SMILES for (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one is C=CCC(=O)CCC[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one?
The InChIKey is XLZOSODXFCFIFW-VWLOTQADSA-N. The full InChI is InChI=1S/C25H52O3Si2/c1-11-16-24(26)17-15-18-25(28-29(12-2,13-3)14-4)19-20-27-30(21(5)6,22(7)8)23(9)10/h11,21-23,25H,1,12-20H2,2-10H3/t25-/m0/s1.
What are the key properties of (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one?
(8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one has a molecular weight of 456.86 g/mol, XLogP of 8.27, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-triethylsilyloxy-10-tri(propan-2-yl)silyloxydec-1-en-4-one is sourced from PubChem (CID 101396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).