(E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol

C17H34O2Si — CID 6442586

IUPAC(E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/CO
InChIInChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-16-13-9-8-12-15(16)11-7-6-10-14-18/h6,10,15-16,18H,7-9,11-14H2,1-5H3/b10-6+/t15-,16-/m0/s1
InChIKeyXOSVJDNNOVFMAB-DAASWOGBSA-N
MW298.54 g/mol
LogP4.90
Rot. Bonds6

About (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol

(E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol (PubChem CID 6442586) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol
PubChem CID6442586
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/CO
InChIInChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-16-13-9-8-12-15(16)11-7-6-10-14-18/h6,10,15-16,18H,7-9,11-14H2,1-5H3/b10-6+/t15-,16-/m0/s1
InChIKeyXOSVJDNNOVFMAB-DAASWOGBSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol?
The IUPAC name of (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol (CID 6442586) is (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol?
The canonical SMILES for (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/CO.
What is the InChIKey of (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol?
The InChIKey is XOSVJDNNOVFMAB-DAASWOGBSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-17(2,3)20(4,5)19-16-13-9-8-12-15(16)11-7-6-10-14-18/h6,10,15-16,18H,7-9,11-14H2,1-5H3/b10-6+/t15-,16-/m0/s1.
What are the key properties of (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol?
(E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pent-2-en-1-ol is sourced from PubChem (CID 6442586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).