(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol

C14H30O2Si — CID 11680458

IUPAC(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol
SMILESC/C=C/C[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-10-13(15)11-9-12-16-17(5,6)14(2,3)4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m1/s1
InChIKeyIPEBNJCOUAQKNA-SBDDDAINSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds7

About (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol

(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol (PubChem CID 11680458) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol.

Molecular Properties

Compound Name(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol
PubChem CID11680458
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol
SMILESC/C=C/C[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-7-8-10-13(15)11-9-12-16-17(5,6)14(2,3)4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m1/s1
InChIKeyIPEBNJCOUAQKNA-SBDDDAINSA-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,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol with MolForge

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Related Compounds

(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8,8,8-trifluorooct-5-en-1-ol
CID 140749985
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-ol
CID 11470271
(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 11830190
(1S,2R)-2-ethenyl-3-trimethylsilyloxycyclohex-3-en-1-ol
CID 12771831
(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
CID 12964922
6-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 13857471

Frequently Asked Questions

What is the IUPAC name of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol?
The IUPAC name of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol (CID 11680458) is (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol.
What is the SMILES notation for (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol?
The canonical SMILES for (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol is C/C=C/C[C@@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol?
The InChIKey is IPEBNJCOUAQKNA-SBDDDAINSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-7-8-10-13(15)11-9-12-16-17(5,6)14(2,3)4/h7-8,13,15H,9-12H2,1-6H3/b8-7+/t13-/m1/s1.
What are the key properties of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol?
(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-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,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-6-en-4-ol is sourced from PubChem (CID 11680458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).