(E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol

C17H34O2Si — CID 6442719

IUPAC(E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol
SMILESC/C(=C\CO)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14(11-12-18)13-15-9-7-8-10-16(15)19-20(5,6)17(2,3)4/h11,15-16,18H,7-10,12-13H2,1-6H3/b14-11+/t15-,16+/m1/s1
InChIKeySQVORTGVEJNAOY-MEDRYPNSSA-N
MW298.54 g/mol
LogP4.90
Rot. Bonds5

About (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol

(E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol (PubChem CID 6442719) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol
PubChem CID6442719
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol
SMILESC/C(=C\CO)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-14(11-12-18)13-15-9-7-8-10-16(15)19-20(5,6)17(2,3)4/h11,15-16,18H,7-10,12-13H2,1-6H3/b14-11+/t15-,16+/m1/s1
InChIKeySQVORTGVEJNAOY-MEDRYPNSSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol?
The IUPAC name of (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol (CID 6442719) is (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol?
The canonical SMILES for (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol is C/C(=C\CO)C[C@H]1CCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol?
The InChIKey is SQVORTGVEJNAOY-MEDRYPNSSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14(11-12-18)13-15-9-7-8-10-16(15)19-20(5,6)17(2,3)4/h11,15-16,18H,7-10,12-13H2,1-6H3/b14-11+/t15-,16+/m1/s1.
What are the key properties of (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol?
(E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-methylbut-2-en-1-ol is sourced from PubChem (CID 6442719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).