(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol

C17H36O2Si — CID 134952069

IUPAC(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol
SMILESC/C(=C/[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)CO
InChIInChI=1S/C17H36O2Si/c1-13(12-18)11-14(2)15(16(3,4)5)19-20(9,10)17(6,7)8/h11,14-15,18H,12H2,1-10H3/b13-11-/t14-,15+/m1/s1
InChIKeyAKZYHRJGNWNFEQ-ZDZFUCEFSA-N
MW300.56 g/mol
LogP5.00
Rot. Bonds5

About (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol

(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol (PubChem CID 134952069) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol
PubChem CID134952069
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol
SMILESC/C(=C/[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)CO
InChIInChI=1S/C17H36O2Si/c1-13(12-18)11-14(2)15(16(3,4)5)19-20(9,10)17(6,7)8/h11,14-15,18H,12H2,1-10H3/b13-11-/t14-,15+/m1/s1
InChIKeyAKZYHRJGNWNFEQ-ZDZFUCEFSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 55.00
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

(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
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
CID 11295937
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-ol
CID 17755058

Frequently Asked Questions

What is the IUPAC name of (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol?
The IUPAC name of (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol (CID 134952069) is (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol.
What is the SMILES notation for (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol?
The canonical SMILES for (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol is C/C(=C/[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C)CO.
What is the InChIKey of (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol?
The InChIKey is AKZYHRJGNWNFEQ-ZDZFUCEFSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(12-18)11-14(2)15(16(3,4)5)19-20(9,10)17(6,7)8/h11,14-15,18H,12H2,1-10H3/b13-11-/t14-,15+/m1/s1.
What are the key properties of (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol?
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol has a molecular weight of 300.56 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol is sourced from PubChem (CID 134952069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).