(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol

C14H30O3Si — CID 10707504

IUPAC(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
SMILESCC[C@@H](O)C/C=C\[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-7-12(15)9-8-10-13(16)11-17-18(5,6)14(2,3)4/h8,10,12-13,15-16H,7,9,11H2,1-6H3/b10-8-/t12-,13+/m1/s1
InChIKeyKAKPOCMRQAFCAE-JPYZIQITSA-N
MW274.48 g/mol
LogP3.09
Rot. Bonds7

About (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol

(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol (PubChem CID 10707504) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol.

Molecular Properties

Compound Name(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
PubChem CID10707504
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
SMILESCC[C@@H](O)C/C=C\[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-7-12(15)9-8-10-13(16)11-17-18(5,6)14(2,3)4/h8,10,12-13,15-16H,7,9,11H2,1-6H3/b10-8-/t12-,13+/m1/s1
InChIKeyKAKPOCMRQAFCAE-JPYZIQITSA-N
XLogP3.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.09
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

(2S,3Z,6S)-1-[tert-butyl(dimethyl)silyl]oxyocta-3,7-diene-2,6-diol
CID 10540140
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-trichlorostannylpent-3-en-2-ol
CID 10646755
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethoxybut-3-en-2-ol
CID 102511744
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537

Frequently Asked Questions

What is the IUPAC name of (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol?
The IUPAC name of (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol (CID 10707504) is (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol.
What is the SMILES notation for (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol?
The canonical SMILES for (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol is CC[C@@H](O)C/C=C\[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol?
The InChIKey is KAKPOCMRQAFCAE-JPYZIQITSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-12(15)9-8-10-13(16)11-17-18(5,6)14(2,3)4/h8,10,12-13,15-16H,7,9,11H2,1-6H3/b10-8-/t12-,13+/m1/s1.
What are the key properties of (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol?
(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol has a molecular weight of 274.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol is sourced from PubChem (CID 10707504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).