(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol

C22H30O2Si — CID 175160919

IUPAC(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
SMILESC=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C22H30O2Si/c1-6-21(18(2)17-23)24-25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18,21,23H,1,17H2,2-5H3/t18-,21-/m0/s1
InChIKeyWBGCRJSOASBZEO-RXVVDRJESA-N
MW354.57 g/mol
LogP3.75
Rot. Bonds7

About (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol

(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol (PubChem CID 175160919) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
PubChem CID175160919
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
SMILESC=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C22H30O2Si/c1-6-21(18(2)17-23)24-25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18,21,23H,1,17H2,2-5H3/t18-,21-/m0/s1
InChIKeyWBGCRJSOASBZEO-RXVVDRJESA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.75
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

(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
tert-butyl-[(3R,4R,5E)-3,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
CID 15321592
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol?
The IUPAC name of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol (CID 175160919) is (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol?
The canonical SMILES for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol is C=C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol?
The InChIKey is WBGCRJSOASBZEO-RXVVDRJESA-N. The full InChI is InChI=1S/C22H30O2Si/c1-6-21(18(2)17-23)24-25(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18,21,23H,1,17H2,2-5H3/t18-,21-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol?
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol has a molecular weight of 354.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol is sourced from PubChem (CID 175160919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).