(E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol

C16H34O2Si — CID 99772010

IUPAC(E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol
SMILESC/C(=C\CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C16H34O2Si/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10,14,17H,8-9,11-13H2,1-7H3/b15-10+/t14-/m1/s1
InChIKeyKHJYKPMIZISDCZ-MFYHJKBNSA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds8

About (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol

(E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol (PubChem CID 99772010) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol.

Molecular Properties

Compound Name(E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol
PubChem CID99772010
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol
SMILESC/C(=C\CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C16H34O2Si/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10,14,17H,8-9,11-13H2,1-7H3/b15-10+/t14-/m1/s1
InChIKeyKHJYKPMIZISDCZ-MFYHJKBNSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,6-Dimethyloct-2-ene-1,8-diol
CID 71357715
(Z)-2,6-dimethyloct-2-ene-1,8-diol
CID 77134639
(e)-2,6-Dimethyl-2-octen-1,8-diol
CID 12033666
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
beta-Citronellol, TBDMS derivative
CID 11043851
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315

Frequently Asked Questions

What is the IUPAC name of (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol?
The IUPAC name of (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol (CID 99772010) is (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol.
What is the SMILES notation for (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol?
The canonical SMILES for (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol is C/C(=C\CC[C@@H](C)CCO[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol?
The InChIKey is KHJYKPMIZISDCZ-MFYHJKBNSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10,14,17H,8-9,11-13H2,1-7H3/b15-10+/t14-/m1/s1.
What are the key properties of (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol?
(E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-en-1-ol is sourced from PubChem (CID 99772010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).