(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol

C20H42O2Si2 — CID 11291668

IUPAC(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O/C=C(/CC(O)C1CCCCC1)C[Si](C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-20(2,3)24(7,8)22-15-17(16-23(4,5)6)14-19(21)18-12-10-9-11-13-18/h15,18-19,21H,9-14,16H2,1-8H3/b17-15-
InChIKeyDOLJTKHYMNPDQJ-ICFOKQHNSA-N
MW370.73 g/mol
LogP6.56
Rot. Bonds7

About (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol (PubChem CID 11291668) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
PubChem CID11291668
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O/C=C(/CC(O)C1CCCCC1)C[Si](C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-20(2,3)24(7,8)22-15-17(16-23(4,5)6)14-19(21)18-12-10-9-11-13-18/h15,18-19,21H,9-14,16H2,1-8H3/b17-15-
InChIKeyDOLJTKHYMNPDQJ-ICFOKQHNSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol (CID 11291668) is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol is CC(C)(C)[Si](C)(C)O/C=C(/CC(O)C1CCCCC1)C[Si](C)(C)C.
What is the InChIKey of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
The InChIKey is DOLJTKHYMNPDQJ-ICFOKQHNSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-20(2,3)24(7,8)22-15-17(16-23(4,5)6)14-19(21)18-12-10-9-11-13-18/h15,18-19,21H,9-14,16H2,1-8H3/b17-15-.
What are the key properties of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol?
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol has a molecular weight of 370.73 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol is sourced from PubChem (CID 11291668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).