(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol

C16H34O2Si — CID 102289951

IUPAC(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol
SMILESCCCC/C=C/[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-8-9-10-11-12-15(17)14(2)13-18-19(6,7)16(3,4)5/h11-12,14-15,17H,8-10,13H2,1-7H3/b12-11+/t14-,15+/m1/s1
InChIKeyJSPDEMWFSCYKPM-BOXZDTQESA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds8

About (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol

(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol (PubChem CID 102289951) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol.

Molecular Properties

Compound Name(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol
PubChem CID102289951
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol
SMILESCCCC/C=C/[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-8-9-10-11-12-15(17)14(2)13-18-19(6,7)16(3,4)5/h11-12,14-15,17H,8-10,13H2,1-7H3/b12-11+/t14-,15+/m1/s1
InChIKeyJSPDEMWFSCYKPM-BOXZDTQESA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(1E,3R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-1-iodo-2,6-dimethyldeca-1,5,9-trien-3-ol
CID 134953226
(Z)-7-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 21651787
7-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-fluoro-2-methylhept-4-en-3-ol
CID 54233189
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol?
The IUPAC name of (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol (CID 102289951) is (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol.
What is the SMILES notation for (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol?
The canonical SMILES for (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol is CCCC/C=C/[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol?
The InChIKey is JSPDEMWFSCYKPM-BOXZDTQESA-N. The full InChI is InChI=1S/C16H34O2Si/c1-8-9-10-11-12-15(17)14(2)13-18-19(6,7)16(3,4)5/h11-12,14-15,17H,8-10,13H2,1-7H3/b12-11+/t14-,15+/m1/s1.
What are the key properties of (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol?
(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol is sourced from PubChem (CID 102289951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).