(E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol

C16H29F3OSi — CID 25243194

IUPAC(E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol
SMILESCC[Si](CC)(CC)/C(=C/C(F)(F)F)C(O)C1CCCCC1
InChIInChI=1S/C16H29F3OSi/c1-4-21(5-2,6-3)14(12-16(17,18)19)15(20)13-10-8-7-9-11-13/h12-13,15,20H,4-11H2,1-3H3/b14-12+
InChIKeyNBUPGQWPRDYSSK-WYMLVPIESA-N
MW322.49 g/mol
LogP5.46
Rot. Bonds6

About (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol

(E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol (PubChem CID 25243194) has the molecular formula C16H29F3OSi and a molecular weight of 322.49 g/mol. Its IUPAC name is (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol
PubChem CID25243194
Molecular FormulaC16H29F3OSi
Molecular Weight322.49 g/mol
Exact Mass322.19
IUPAC Name(E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol
SMILESCC[Si](CC)(CC)/C(=C/C(F)(F)F)C(O)C1CCCCC1
InChIInChI=1S/C16H29F3OSi/c1-4-21(5-2,6-3)14(12-16(17,18)19)15(20)13-10-8-7-9-11-13/h12-13,15,20H,4-11H2,1-3H3/b14-12+
InChIKeyNBUPGQWPRDYSSK-WYMLVPIESA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol with MolForge

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Related Compounds

(E)-1-cyclohexyl-4,4,4-trifluoro-3-triethylsilylbut-2-en-1-ol
CID 25243193
(Z)-1-cyclohexyl-2-fluorohex-2-en-1-ol
CID 134854053
(Z)-1-cyclohexyl-3-fluorooct-2-en-1-ol
CID 177852189
(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol
CID 59065321
(2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol
CID 91024471
Cyclohexanemethanol, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-alpha-1-propen-1-yl-
CID 6442723
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-2-methyl-, (1alpha(E),2beta)-
CID 6442725
(Z)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
CID 10822247
(E,1R)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
CID 102092696
(E,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
CID 102092697
(Z,1R)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
CID 102092698
(Z,1S)-1-cyclohexyl-4,4,4-trifluorobut-2-en-1-ol
CID 102092699

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol?
The IUPAC name of (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol (CID 25243194) is (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol.
What is the SMILES notation for (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol?
The canonical SMILES for (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol is CC[Si](CC)(CC)/C(=C/C(F)(F)F)C(O)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol?
The InChIKey is NBUPGQWPRDYSSK-WYMLVPIESA-N. The full InChI is InChI=1S/C16H29F3OSi/c1-4-21(5-2,6-3)14(12-16(17,18)19)15(20)13-10-8-7-9-11-13/h12-13,15,20H,4-11H2,1-3H3/b14-12+.
What are the key properties of (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol?
(E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol has a molecular weight of 322.49 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-4,4,4-trifluoro-2-triethylsilylbut-2-en-1-ol is sourced from PubChem (CID 25243194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).