(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol

C15H32O3Si — CID 10935112

IUPAC(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
SMILESC=CC[C@@H](O)C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-8-9-13(16)11-14(17)10-12(2)18-19(6,7)15(3,4)5/h8,12-14,16-17H,1,9-11H2,2-7H3/t12-,13+,14-/m0/s1
InChIKeyCPGPXUQQICVGOG-MJBXVCDLSA-N
MW288.50 g/mol
LogP3.47
Rot. Bonds8

About (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol

(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol (PubChem CID 10935112) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol.

Molecular Properties

Compound Name(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
PubChem CID10935112
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
SMILESC=CC[C@@H](O)C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-8-9-13(16)11-14(17)10-12(2)18-19(6,7)15(3,4)5/h8,12-14,16-17H,1,9-11H2,2-7H3/t12-,13+,14-/m0/s1
InChIKeyCPGPXUQQICVGOG-MJBXVCDLSA-N
XLogP3.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.47
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

(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
CID 140658624
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
CID 132933670
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypent-4-en-2-ol
CID 10955810
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
CID 154722181
tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-ol
CID 135040202

Frequently Asked Questions

What is the IUPAC name of (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol?
The IUPAC name of (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol (CID 10935112) is (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol.
What is the SMILES notation for (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol?
The canonical SMILES for (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol is C=CC[C@@H](O)C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol?
The InChIKey is CPGPXUQQICVGOG-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-8-9-13(16)11-14(17)10-12(2)18-19(6,7)15(3,4)5/h8,12-14,16-17H,1,9-11H2,2-7H3/t12-,13+,14-/m0/s1.
What are the key properties of (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol?
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol has a molecular weight of 288.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol is sourced from PubChem (CID 10935112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).