(E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol

C15H32O2Si — CID 23628536

IUPAC(E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol
SMILESCC/C=C/C[C@H](C[C@@H](C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-10-11-14(12-13(2)16)17-18(6,7)15(3,4)5/h9-10,13-14,16H,8,11-12H2,1-7H3/b10-9+/t13-,14-/m1/s1
InChIKeyFABNYKVYKLTNFB-NPUYYSGSSA-N
MW272.50 g/mol
LogP4.50
Rot. Bonds7

About (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol

(E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol (PubChem CID 23628536) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol.

Molecular Properties

Compound Name(E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol
PubChem CID23628536
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol
SMILESCC/C=C/C[C@H](C[C@@H](C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-10-11-14(12-13(2)16)17-18(6,7)15(3,4)5/h9-10,13-14,16H,8,11-12H2,1-7H3/b10-9+/t13-,14-/m1/s1
InChIKeyFABNYKVYKLTNFB-NPUYYSGSSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.50
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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739

Frequently Asked Questions

What is the IUPAC name of (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol?
The IUPAC name of (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol (CID 23628536) is (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol.
What is the SMILES notation for (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol?
The canonical SMILES for (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol is CC/C=C/C[C@H](C[C@@H](C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol?
The InChIKey is FABNYKVYKLTNFB-NPUYYSGSSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-9-10-11-14(12-13(2)16)17-18(6,7)15(3,4)5/h9-10,13-14,16H,8,11-12H2,1-7H3/b10-9+/t13-,14-/m1/s1.
What are the key properties of (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol?
(E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol has a molecular weight of 272.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxynon-6-en-2-ol is sourced from PubChem (CID 23628536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).