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

C12H26O2Si — CID 54597347

IUPAC(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol
SMILESC[C@H](/C=C/CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h7-8,11,13H,9-10H2,1-6H3/b8-7+/t11-/m1/s1
InChIKeyNJIUZGHAOOLJKX-WSKFYRRCSA-N
MW230.42 g/mol
LogP3.19
Rot. Bonds5

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

(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol (PubChem CID 54597347) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol
PubChem CID54597347
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol
SMILESC[C@H](/C=C/CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h7-8,11,13H,9-10H2,1-6H3/b8-7+/t11-/m1/s1
InChIKeyNJIUZGHAOOLJKX-WSKFYRRCSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.19
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

(E)-4-(tert-butyldimethylsilyloxy)but-2-en-1-ol
CID 13841129
(Z)-4-((tert-butyldimethylsilyl)oxy)but-2-en-1-ol
CID 10608197
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 15748152
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
(Z)-5-((tert-butyldimethylsilyl)oxy)pent-2-en-1-ol
CID 15689848
(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 21651791
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 22236659
5-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 53857953
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 60037105
5-[Tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 73877128
(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-en-1-ol
CID 88610393

Frequently Asked Questions

What is the IUPAC name of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol?
The IUPAC name of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol (CID 54597347) is (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol.
What is the SMILES notation for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol?
The canonical SMILES for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol is C[C@H](/C=C/CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol?
The InChIKey is NJIUZGHAOOLJKX-WSKFYRRCSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h7-8,11,13H,9-10H2,1-6H3/b8-7+/t11-/m1/s1.
What are the key properties of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol?
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-en-1-ol is sourced from PubChem (CID 54597347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).