(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol

C13H26OSi — CID 12022452

IUPAC(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
SMILESC[Si](C)(C)/C=C/CC(O)C1CCCCC1
InChIInChI=1S/C13H26OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h7,11-14H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyHKNXLTPULXWTJQ-YRNVUSSQSA-N
MW226.44 g/mol
LogP3.75
Rot. Bonds4

About (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol

(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol (PubChem CID 12022452) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
PubChem CID12022452
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
SMILESC[Si](C)(C)/C=C/CC(O)C1CCCCC1
InChIInChI=1S/C13H26OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h7,11-14H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyHKNXLTPULXWTJQ-YRNVUSSQSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol?
The IUPAC name of (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol (CID 12022452) is (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol.
What is the SMILES notation for (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol?
The canonical SMILES for (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol is C[Si](C)(C)/C=C/CC(O)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol?
The InChIKey is HKNXLTPULXWTJQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H26OSi/c1-15(2,3)11-7-10-13(14)12-8-5-4-6-9-12/h7,11-14H,4-6,8-10H2,1-3H3/b11-7+.
What are the key properties of (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol?
(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol has a molecular weight of 226.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol is sourced from PubChem (CID 12022452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).