(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol

C15H30O2Si — CID 164677074

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
SMILESC=C(/C=C/CCCO)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(11-9-8-10-12-16)14(2)17-18(6,7)15(3,4)5/h9,11,14,16H,1,8,10,12H2,2-7H3/b11-9+
InChIKeyMRFBDYPNIAYRGR-PKNBQFBNSA-N
MW270.49 g/mol
LogP4.28
Rot. Bonds7

About (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol

(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol (PubChem CID 164677074) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
PubChem CID164677074
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol
SMILESC=C(/C=C/CCCO)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(11-9-8-10-12-16)14(2)17-18(6,7)15(3,4)5/h9,11,14,16H,1,8,10,12H2,2-7H3/b11-9+
InChIKeyMRFBDYPNIAYRGR-PKNBQFBNSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.28
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol (CID 164677074) is (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol is C=C(/C=C/CCCO)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol?
The InChIKey is MRFBDYPNIAYRGR-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-13(11-9-8-10-12-16)14(2)17-18(6,7)15(3,4)5/h9,11,14,16H,1,8,10,12H2,2-7H3/b11-9+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol?
(E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol has a molecular weight of 270.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoct-4-en-1-ol is sourced from PubChem (CID 164677074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).