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

C16H32O2Si — CID 58241880

IUPAC(E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol
SMILESC/C=C/[C@H](O)[C@@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-10-14(17)13-11-8-9-12-15(13)18-19(5,6)16(2,3)4/h7,10,13-15,17H,8-9,11-12H2,1-6H3/b10-7+/t13-,14-,15-/m0/s1
InChIKeyXGNAIRLAOVRDBS-ZIUOVVLSSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds4

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

(E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol (PubChem CID 58241880) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol.

Molecular Properties

Compound Name(E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol
PubChem CID58241880
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol
SMILESC/C=C/[C@H](O)[C@@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-7-10-14(17)13-11-8-9-12-15(13)18-19(5,6)16(2,3)4/h7,10,13-15,17H,8-9,11-12H2,1-6H3/b10-7+/t13-,14-,15-/m0/s1
InChIKeyXGNAIRLAOVRDBS-ZIUOVVLSSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.50
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,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol?
The IUPAC name of (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol (CID 58241880) is (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol.
What is the SMILES notation for (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol?
The canonical SMILES for (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol is C/C=C/[C@H](O)[C@@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol?
The InChIKey is XGNAIRLAOVRDBS-ZIUOVVLSSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-10-14(17)13-11-8-9-12-15(13)18-19(5,6)16(2,3)4/h7,10,13-15,17H,8-9,11-12H2,1-6H3/b10-7+/t13-,14-,15-/m0/s1.
What are the key properties of (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol?
(E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]but-2-en-1-ol is sourced from PubChem (CID 58241880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).