(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol

C28H40O4Si — CID 10972716

IUPAC(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
SMILESC=C(C)[C@H](OC1CCCCO1)[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O4Si/c1-22(2)27(32-26-18-12-13-19-30-26)23(20-29)21-31-33(28(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,23,26-27,29H,1,12-13,18-21H2,2-5H3/t23-,26?,27+/m1/s1
InChIKeyCJCDVDUANVFMHU-IDERCBEYSA-N
MW468.71 g/mol
LogP4.66
Rot. Bonds10

About (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol

(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol (PubChem CID 10972716) has the molecular formula C28H40O4Si and a molecular weight of 468.71 g/mol. Its IUPAC name is (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
PubChem CID10972716
Molecular FormulaC28H40O4Si
Molecular Weight468.71 g/mol
Exact Mass468.27
IUPAC Name(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
SMILESC=C(C)[C@H](OC1CCCCO1)[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O4Si/c1-22(2)27(32-26-18-12-13-19-30-26)23(20-29)21-31-33(28(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,23,26-27,29H,1,12-13,18-21H2,2-5H3/t23-,26?,27+/m1/s1
InChIKeyCJCDVDUANVFMHU-IDERCBEYSA-N
XLogP4.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 54.66
H-Bond Donors ≤ 51
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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Launch Full Analysis

Related Compounds

5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
(2S,3R,4R,5R)-7-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[2-(oxan-2-yloxy)ethyl]-5-tri(propan-2-yl)silyloxyheptane-1,3-diol
CID 135836143
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol?
The IUPAC name of (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol (CID 10972716) is (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol.
What is the SMILES notation for (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol?
The canonical SMILES for (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol is C=C(C)[C@H](OC1CCCCO1)[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol?
The InChIKey is CJCDVDUANVFMHU-IDERCBEYSA-N. The full InChI is InChI=1S/C28H40O4Si/c1-22(2)27(32-26-18-12-13-19-30-26)23(20-29)21-31-33(28(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,23,26-27,29H,1,12-13,18-21H2,2-5H3/t23-,26?,27+/m1/s1.
What are the key properties of (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol?
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol has a molecular weight of 468.71 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol is sourced from PubChem (CID 10972716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).