(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol

C16H34O2Si — CID 140658624

IUPAC(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
SMILESCC/C(C)=C/C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-13(2)10-11-15(17)12-14(3)18-19(7,8)16(4,5)6/h10,14-15,17H,9,11-12H2,1-8H3/b13-10+/t14-,15+/m0/s1
InChIKeyNPYYYDZDCQVXOZ-XEZFYOOLSA-N
MW286.53 g/mol
LogP4.89
Rot. Bonds7

About (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol

(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol (PubChem CID 140658624) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol.

Molecular Properties

Compound Name(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
PubChem CID140658624
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
SMILESCC/C(C)=C/C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-9-13(2)10-11-15(17)12-14(3)18-19(7,8)16(4,5)6/h10,14-15,17H,9,11-12H2,1-8H3/b13-10+/t14-,15+/m0/s1
InChIKeyNPYYYDZDCQVXOZ-XEZFYOOLSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.89
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

(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
CID 132933670
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
CID 154722181
tert-butyl-dimethyl-[(Z,2R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-4-en-2-yl]oxysilane
CID 122404223
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
(Z,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-5-en-3-ol
CID 138977970
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
(2E,4E,6E,9R,11S)-9,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyltrideca-2,4,6-trienal
CID 25170442

Frequently Asked Questions

What is the IUPAC name of (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol?
The IUPAC name of (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol (CID 140658624) is (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol.
What is the SMILES notation for (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol?
The canonical SMILES for (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol is CC/C(C)=C/C[C@@H](O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol?
The InChIKey is NPYYYDZDCQVXOZ-XEZFYOOLSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-9-13(2)10-11-15(17)12-14(3)18-19(7,8)16(4,5)6/h10,14-15,17H,9,11-12H2,1-8H3/b13-10+/t14-,15+/m0/s1.
What are the key properties of (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol?
(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol has a molecular weight of 286.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol is sourced from PubChem (CID 140658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).