(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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Related Compounds

(2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloctan-3-ol
CID 14107959
(1R,2S)-1-cyclohexyl-2-[cyclohexyloxy(dimethyl)silyl]but-3-en-1-ol
CID 14979169
cis-(1S,2R)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohexan-1-ol
CID 15263617
(3S,4S,7S)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnon-1-en-4-ol
CID 24767663
2-(1-(Dimethyl((trimethylsilyl)methyl)silyl)ethenyl)cyclohexanol
CID 71423813
(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
CID 101097233
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-ol
CID 101593845
1,2-Dicyclohexyl-3-triethylsilylbut-3-en-1-ol
CID 101899065
(1S,2E,3R)-1-cyclohexyl-4-methyl-2-(trimethylsilylmethylidene)pentane-1,3-diol
CID 102172214
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol
CID 134906054
(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol
CID 134930947
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-ol
CID 134931036

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).