(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol

C21H28O2Si — CID 11782782

IUPAC(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
SMILESC=CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-5-12-18(22)17-23-24(21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,18,22H,1,12,17H2,2-4H3/t18-/m0/s1
InChIKeyQZGQABWSUCIIQS-SFHVURJKSA-N
MW340.54 g/mol
LogP3.50
Rot. Bonds7

About (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol

(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol (PubChem CID 11782782) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
PubChem CID11782782
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
SMILESC=CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H28O2Si/c1-5-12-18(22)17-23-24(21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,18,22H,1,12,17H2,2-4H3/t18-/m0/s1
InChIKeyQZGQABWSUCIIQS-SFHVURJKSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol (CID 11782782) is (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol is C=CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
The InChIKey is QZGQABWSUCIIQS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-5-12-18(22)17-23-24(21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,18,22H,1,12,17H2,2-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol?
(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol has a molecular weight of 340.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol is sourced from PubChem (CID 11782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).