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

C22H30O2Si — CID 134941259

IUPAC(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
SMILESC/C(=C\[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C22H30O2Si/c1-18(17-23)16-19(2)24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,19,23H,17H2,1-5H3/b18-16+/t19-/m0/s1
InChIKeyYVXIJCRBLQWYJN-YMIFCHIISA-N
MW354.57 g/mol
LogP3.89
Rot. Bonds6

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

(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol (PubChem CID 134941259) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
PubChem CID134941259
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
SMILESC/C(=C\[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO
InChIInChI=1S/C22H30O2Si/c1-18(17-23)16-19(2)24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,19,23H,17H2,1-5H3/b18-16+/t19-/m0/s1
InChIKeyYVXIJCRBLQWYJN-YMIFCHIISA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.89
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

2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
(Z,5R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethyloct-2-ene-1,8-diol
CID 11398826
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
(E,4R,5R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2,5,7-trimethyloct-2-en-1-ol
CID 57387274
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
N-[(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-enyl]hydroxylamine
CID 100983675
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol?
The IUPAC name of (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol (CID 134941259) is (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol.
What is the SMILES notation for (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol?
The canonical SMILES for (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol is C/C(=C\[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO.
What is the InChIKey of (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol?
The InChIKey is YVXIJCRBLQWYJN-YMIFCHIISA-N. The full InChI is InChI=1S/C22H30O2Si/c1-18(17-23)16-19(2)24-25(22(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,19,23H,17H2,1-5H3/b18-16+/t19-/m0/s1.
What are the key properties of (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol?
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol has a molecular weight of 354.57 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol is sourced from PubChem (CID 134941259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).