(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol

C16H34O3Si — CID 139994432

IUPAC(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol
SMILESC/C=C/C(O)C(C)(C)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-9-10-13(18)16(5,6)14(11-12-17)19-20(7,8)15(2,3)4/h9-10,13-14,17-18H,11-12H2,1-8H3/b10-9+
InChIKeyQRGDYNFOZYZSHL-MDZDMXLPSA-N
MW302.53 g/mol
LogP3.72
Rot. Bonds7

About (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol

(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol (PubChem CID 139994432) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol.

Molecular Properties

Compound Name(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol
PubChem CID139994432
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol
SMILESC/C=C/C(O)C(C)(C)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-9-10-13(18)16(5,6)14(11-12-17)19-20(7,8)15(2,3)4/h9-10,13-14,17-18H,11-12H2,1-8H3/b10-9+
InChIKeyQRGDYNFOZYZSHL-MDZDMXLPSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
3-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489656
(4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-1-en-3-ol
CID 16006964
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
CID 101897818
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176

Frequently Asked Questions

What is the IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol?
The IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol (CID 139994432) is (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol.
What is the SMILES notation for (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol?
The canonical SMILES for (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol is C/C=C/C(O)C(C)(C)C(CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol?
The InChIKey is QRGDYNFOZYZSHL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-13(18)16(5,6)14(11-12-17)19-20(7,8)15(2,3)4/h9-10,13-14,17-18H,11-12H2,1-8H3/b10-9+.
What are the key properties of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol?
(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol has a molecular weight of 302.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-6-ene-1,5-diol is sourced from PubChem (CID 139994432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).