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

C26H40O2Si2 — CID 11293612

IUPAC(3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESC=C(C[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C26H40O2Si2/c1-22(21-29(5,6)7)20-23(27)18-19-28-30(26(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,27H,1,18-21H2,2-7H3/t23-/m1/s1
InChIKeyJFPFLLQASOHEMH-HSZRJFAPSA-N
MW440.78 g/mol
LogP5.60
Rot. Bonds10

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

(3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol (PubChem CID 11293612) has the molecular formula C26H40O2Si2 and a molecular weight of 440.78 g/mol. Its IUPAC name is (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol
PubChem CID11293612
Molecular FormulaC26H40O2Si2
Molecular Weight440.78 g/mol
Exact Mass440.26
IUPAC Name(3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol
SMILESC=C(C[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C26H40O2Si2/c1-22(21-29(5,6)7)20-23(27)18-19-28-30(26(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,27H,1,18-21H2,2-7H3/t23-/m1/s1
InChIKeyJFPFLLQASOHEMH-HSZRJFAPSA-N
XLogP5.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 55.60
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 (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The IUPAC name of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol (CID 11293612) is (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol.
What is the SMILES notation for (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The canonical SMILES for (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol is C=C(C[C@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
The InChIKey is JFPFLLQASOHEMH-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H40O2Si2/c1-22(21-29(5,6)7)20-23(27)18-19-28-30(26(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,27H,1,18-21H2,2-7H3/t23-/m1/s1.
What are the key properties of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol?
(3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol has a molecular weight of 440.78 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(trimethylsilylmethyl)hex-5-en-3-ol is sourced from PubChem (CID 11293612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).