(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol

C14H30O2Si — CID 10706387

IUPAC(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol
SMILESC[C@H](CCC/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(11-9-7-8-10-12-15)16-17(5,6)14(2,3)4/h8,10,13,15H,7,9,11-12H2,1-6H3/b10-8+/t13-/m1/s1
InChIKeyBRSBWLRRFUQENI-AORWBKJGSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds7

About (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol

(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol (PubChem CID 10706387) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol.

Molecular Properties

Compound Name(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol
PubChem CID10706387
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol
SMILESC[C@H](CCC/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(11-9-7-8-10-12-15)16-17(5,6)14(2,3)4/h8,10,13,15H,7,9,11-12H2,1-6H3/b10-8+/t13-/m1/s1
InChIKeyBRSBWLRRFUQENI-AORWBKJGSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.12
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'}

Analyze (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol with MolForge

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130

Frequently Asked Questions

What is the IUPAC name of (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol?
The IUPAC name of (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol (CID 10706387) is (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol.
What is the SMILES notation for (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol?
The canonical SMILES for (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol is C[C@H](CCC/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol?
The InChIKey is BRSBWLRRFUQENI-AORWBKJGSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-13(11-9-7-8-10-12-15)16-17(5,6)14(2,3)4/h8,10,13,15H,7,9,11-12H2,1-6H3/b10-8+/t13-/m1/s1.
What are the key properties of (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol?
(E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol has a molecular weight of 258.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-2-en-1-ol is sourced from PubChem (CID 10706387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).