(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol

C44H60O4Si2 — CID 160880353

IUPAC(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/2C22H30O2Si/c2*1-5-12-19(17-23)18-24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h2*5-11,13-16,19,23H,1,12,17-18H2,2-4H3/t2*19-/m10/s1
InChIKeySMYIKHWWMCEMDG-OYPHMNEHSA-N
MW709.13 g/mol
LogP7.50
Rot. Bonds16

About (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol (PubChem CID 160880353) has the molecular formula C44H60O4Si2 and a molecular weight of 709.13 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
PubChem CID160880353
Molecular FormulaC44H60O4Si2
Molecular Weight709.13 g/mol
Exact Mass708.40
IUPAC Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/2C22H30O2Si/c2*1-5-12-19(17-23)18-24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h2*5-11,13-16,19,23H,1,12,17-18H2,2-4H3/t2*19-/m10/s1
InChIKeySMYIKHWWMCEMDG-OYPHMNEHSA-N
XLogP7.50
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.13
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(hydroxymethyl)hept-6-en-2-yl]-4-methylbenzenesulfonamide
CID 12964130
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
2-(bromomethyl)hexa-4,5-dienoxy-tert-butyl-diphenylsilane
CID 154718450
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
CID 101038575
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol?
The IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol (CID 160880353) is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol.
What is the SMILES notation for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol?
The canonical SMILES for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol is C=CC[C@@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol?
The InChIKey is SMYIKHWWMCEMDG-OYPHMNEHSA-N. The full InChI is InChI=1S/2C22H30O2Si/c2*1-5-12-19(17-23)18-24-25(22(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h2*5-11,13-16,19,23H,1,12,17-18H2,2-4H3/t2*19-/m10/s1.
What are the key properties of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol?
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol has a molecular weight of 709.13 g/mol, XLogP of 7.50, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol is sourced from PubChem (CID 160880353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).