(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol

C16H36O2Si2 — CID 162404503

IUPAC(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESC=C(C[C@@H](O)CCO[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C16H36O2Si2/c1-14(13-19(5,6)7)12-15(17)10-11-18-20(8,9)16(2,3)4/h15,17H,1,10-13H2,2-9H3/t15-/m0/s1
InChIKeyWWURSHLMHMKZJJ-HNNXBMFYSA-N
MW316.63 g/mol
LogP5.04
Rot. Bonds8

About (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol

(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol (PubChem CID 162404503) has the molecular formula C16H36O2Si2 and a molecular weight of 316.63 g/mol. Its IUPAC name is (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol
PubChem CID162404503
Molecular FormulaC16H36O2Si2
Molecular Weight316.63 g/mol
Exact Mass316.23
IUPAC Name(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESC=C(C[C@@H](O)CCO[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C16H36O2Si2/c1-14(13-19(5,6)7)12-15(17)10-11-18-20(8,9)16(2,3)4/h15,17H,1,10-13H2,2-9H3/t15-/m0/s1
InChIKeyWWURSHLMHMKZJJ-HNNXBMFYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.63
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The IUPAC name of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol (CID 162404503) is (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol.
What is the SMILES notation for (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The canonical SMILES for (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol is C=C(C[C@@H](O)CCO[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The InChIKey is WWURSHLMHMKZJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H36O2Si2/c1-14(13-19(5,6)7)12-15(17)10-11-18-20(8,9)16(2,3)4/h15,17H,1,10-13H2,2-9H3/t15-/m0/s1.
What are the key properties of (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol has a molecular weight of 316.63 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol is sourced from PubChem (CID 162404503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).