(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol

C17H32O2Si — CID 135010388

IUPAC(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
SMILESC=C[C@H]1CCCC[C@H]1/C=C(\CO)O[Si](CC)(CC)CC
InChIInChI=1S/C17H32O2Si/c1-5-15-11-9-10-12-16(15)13-17(14-18)19-20(6-2,7-3)8-4/h5,13,15-16,18H,1,6-12,14H2,2-4H3/b17-13+/t15-,16-/m0/s1
InChIKeyFWPSSJSISRNBOC-WPKOWNOESA-N
MW296.53 g/mol
LogP4.88
Rot. Bonds8

About (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol

(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol (PubChem CID 135010388) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
PubChem CID135010388
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
SMILESC=C[C@H]1CCCC[C@H]1/C=C(\CO)O[Si](CC)(CC)CC
InChIInChI=1S/C17H32O2Si/c1-5-15-11-9-10-12-16(15)13-17(14-18)19-20(6-2,7-3)8-4/h5,13,15-16,18H,1,6-12,14H2,2-4H3/b17-13+/t15-,16-/m0/s1
InChIKeyFWPSSJSISRNBOC-WPKOWNOESA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[(1S,2R,4S)-4-tert-butyl-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
CID 12003563
(E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-en-1-ol
CID 134973101
(Z)-3-[(1S,2R,4S)-4-tert-butyl-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
CID 135010386
(E)-3-[(1S,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
CID 135010389
(5E,7S,8S,9E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadeca-5,9-dien-7-ol
CID 10787741
(E)-3-[(1R,2S)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol
CID 101380670

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol?
The IUPAC name of (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol (CID 135010388) is (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol?
The canonical SMILES for (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol is C=C[C@H]1CCCC[C@H]1/C=C(\CO)O[Si](CC)(CC)CC.
What is the InChIKey of (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol?
The InChIKey is FWPSSJSISRNBOC-WPKOWNOESA-N. The full InChI is InChI=1S/C17H32O2Si/c1-5-15-11-9-10-12-16(15)13-17(14-18)19-20(6-2,7-3)8-4/h5,13,15-16,18H,1,6-12,14H2,2-4H3/b17-13+/t15-,16-/m0/s1.
What are the key properties of (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol?
(E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol has a molecular weight of 296.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1R,2R)-2-ethenylcyclohexyl]-2-triethylsilyloxyprop-2-en-1-ol is sourced from PubChem (CID 135010388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).