(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol

C16H32O2Si — CID 146161735

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol
SMILESC=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)CO
InChIInChI=1S/C16H32O2Si/c1-8-10-11-12-15(14(9-2)13-17)18-19(6,7)16(3,4)5/h8-9,14-15,17H,1-2,10-13H2,3-7H3/t14-,15-/m1/s1
InChIKeyASIAALCNJWROCU-HUUCEWRRSA-N
MW284.52 g/mol
LogP4.53
Rot. Bonds9

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol (PubChem CID 146161735) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol
PubChem CID146161735
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol
SMILESC=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)CO
InChIInChI=1S/C16H32O2Si/c1-8-10-11-12-15(14(9-2)13-17)18-19(6,7)16(3,4)5/h8-9,14-15,17H,1-2,10-13H2,3-7H3/t14-,15-/m1/s1
InChIKeyASIAALCNJWROCU-HUUCEWRRSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol (CID 146161735) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol is C=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)CO.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol?
The InChIKey is ASIAALCNJWROCU-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-10-11-12-15(14(9-2)13-17)18-19(6,7)16(3,4)5/h8-9,14-15,17H,1-2,10-13H2,3-7H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-en-1-ol is sourced from PubChem (CID 146161735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).