(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol

C17H32O2Si — CID 134880408

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol
SMILESC=CCCC(C)=C=C(C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-9-10-11-14(2)12-15(3)16(18)13-19-20(7,8)17(4,5)6/h9,16,18H,1,10-11,13H2,2-8H3/t12?,16-/m1/s1
InChIKeyMUBIQHYHZHJLGG-PVQCJRHBSA-N
MW296.53 g/mol
LogP4.83
Rot. Bonds7

About (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol (PubChem CID 134880408) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol
PubChem CID134880408
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol
SMILESC=CCCC(C)=C=C(C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-9-10-11-14(2)12-15(3)16(18)13-19-20(7,8)17(4,5)6/h9,16,18H,1,10-11,13H2,2-8H3/t12?,16-/m1/s1
InChIKeyMUBIQHYHZHJLGG-PVQCJRHBSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol (CID 134880408) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol is C=CCCC(C)=C=C(C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol?
The InChIKey is MUBIQHYHZHJLGG-PVQCJRHBSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-9-10-11-14(2)12-15(3)16(18)13-19-20(7,8)17(4,5)6/h9,16,18H,1,10-11,13H2,2-8H3/t12?,16-/m1/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol has a molecular weight of 296.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnona-3,4,8-trien-2-ol is sourced from PubChem (CID 134880408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).