(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol

C17H36O2Si — CID 122371221

IUPAC(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
SMILESCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C17H36O2Si/c1-9-10-11-16(15(3)12-14(2)13-18)19-20(7,8)17(4,5)6/h12,15-16,18H,9-11,13H2,1-8H3/b14-12-/t15-,16-/m1/s1
InChIKeyZSZLWDBDUICPGB-CZZMSJKLSA-N
MW300.56 g/mol
LogP5.14
Rot. Bonds8

About (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol

(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol (PubChem CID 122371221) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
PubChem CID122371221
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
SMILESCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO
InChIInChI=1S/C17H36O2Si/c1-9-10-11-16(15(3)12-14(2)13-18)19-20(7,8)17(4,5)6/h12,15-16,18H,9-11,13H2,1-8H3/b14-12-/t15-,16-/m1/s1
InChIKeyZSZLWDBDUICPGB-CZZMSJKLSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.14
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'}

Analyze (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-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

(1S,2E,4R,6E,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
CID 21574993
(1S,2Z,4E,8R,12E)-5,13-dimethyl-9-methylidene-2-propan-2-ylcyclotetradeca-2,4,12-triene-1,8-diol
CID 14138010
(1S,2Z,4E,8R,9E,12E)-5,9,13-trimethyl-2-propan-2-ylcyclotetradeca-2,4,9,12-tetraene-1,8-diol
CID 14137998
(1S,2Z,4E,8S,12E)-5,13-dimethyl-9-methylidene-2-propan-2-ylcyclotetradeca-2,4,12-triene-1,8-diol
CID 14138011
(1S,2Z,4R,6Z,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
CID 101340299
(2E,6Z,10E,12R)-3,7-bis(hydroxymethyl)-11,15-dimethyl-14-methylidenehexadeca-2,6,10-triene-1,12-diol
CID 162872329
(1R,2E,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
CID 162915080
(1R,2Z,4S,6E,10Z,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-triene-1,4-diol
CID 163193777
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
(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

Frequently Asked Questions

What is the IUPAC name of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol?
The IUPAC name of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol (CID 122371221) is (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol.
What is the SMILES notation for (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol?
The canonical SMILES for (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol is CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)CO.
What is the InChIKey of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol?
The InChIKey is ZSZLWDBDUICPGB-CZZMSJKLSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-9-10-11-16(15(3)12-14(2)13-18)19-20(7,8)17(4,5)6/h12,15-16,18H,9-11,13H2,1-8H3/b14-12-/t15-,16-/m1/s1.
What are the key properties of (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol?
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol has a molecular weight of 300.56 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol is sourced from PubChem (CID 122371221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).