(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol

C16H32O2Si — CID 134846365

IUPAC(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol
SMILESC/C=C(\O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7,13,15,17H,8-12H2,1-6H3/b14-7-/t15-/m0/s1
InChIKeyLLOPRRMOMTXOOU-GSHXUFRSSA-N
MW284.52 g/mol
LogP5.42
Rot. Bonds4

About (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol

(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol (PubChem CID 134846365) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol.

Molecular Properties

Compound Name(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol
PubChem CID134846365
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol
SMILESC/C=C(\O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7,13,15,17H,8-12H2,1-6H3/b14-7-/t15-/m0/s1
InChIKeyLLOPRRMOMTXOOU-GSHXUFRSSA-N
XLogP5.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.42
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,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol?
The IUPAC name of (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol (CID 134846365) is (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol.
What is the SMILES notation for (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol?
The canonical SMILES for (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol is C/C=C(\O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol?
The InChIKey is LLOPRRMOMTXOOU-GSHXUFRSSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7,13,15,17H,8-12H2,1-6H3/b14-7-/t15-/m0/s1.
What are the key properties of (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol?
(Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol has a molecular weight of 284.52 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-en-2-ol is sourced from PubChem (CID 134846365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).