2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol

C22H30O3Si — CID 102368876

IUPAC2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
SMILESC[C@@H](C=C(CO)CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O3Si/c1-18(15-19(16-23)17-24)25-26(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,18,23-24H,16-17H2,1-4H3/t18-/m0/s1
InChIKeyGTXJPXUOWZOAFK-SFHVURJKSA-N
MW370.57 g/mol
LogP2.86
Rot. Bonds7

About 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol

2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol (PubChem CID 102368876) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
PubChem CID102368876
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Name2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
SMILESC[C@@H](C=C(CO)CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O3Si/c1-18(15-19(16-23)17-24)25-26(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,18,23-24H,16-17H2,1-4H3/t18-/m0/s1
InChIKeyGTXJPXUOWZOAFK-SFHVURJKSA-N
XLogP2.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid
CID 23117699
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743
(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
(NE,R)-N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
CID 11464164
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol?
The IUPAC name of 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol (CID 102368876) is 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol.
What is the SMILES notation for 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol?
The canonical SMILES for 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol is C[C@@H](C=C(CO)CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol?
The InChIKey is GTXJPXUOWZOAFK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-18(15-19(16-23)17-24)25-26(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-15,18,23-24H,16-17H2,1-4H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol?
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol has a molecular weight of 370.57 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol is sourced from PubChem (CID 102368876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).