(2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol

C21H30O3Si — CID 25133549

IUPAC(2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol
SMILESCC(C)(C)[Si](O[C@H](CO)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30O3Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-18(17-23)11-10-16-22/h4-9,12-15,18,22-23H,10-11,16-17H2,1-3H3/t18-/m0/s1
InChIKeyDHWTVZIZXBJYAY-SFHVURJKSA-N
MW358.55 g/mol
LogP2.70
Rot. Bonds8

About (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol

(2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol (PubChem CID 25133549) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol
PubChem CID25133549
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Name(2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol
SMILESCC(C)(C)[Si](O[C@H](CO)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30O3Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-18(17-23)11-10-16-22/h4-9,12-15,18,22-23H,10-11,16-17H2,1-3H3/t18-/m0/s1
InChIKeyDHWTVZIZXBJYAY-SFHVURJKSA-N
XLogP2.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol?
The IUPAC name of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol (CID 25133549) is (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol.
What is the SMILES notation for (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol?
The canonical SMILES for (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol is CC(C)(C)[Si](O[C@H](CO)CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol?
The InChIKey is DHWTVZIZXBJYAY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-21(2,3)25(19-12-6-4-7-13-19,20-14-8-5-9-15-20)24-18(17-23)11-10-16-22/h4-9,12-15,18,22-23H,10-11,16-17H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol?
(2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol has a molecular weight of 358.55 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(diphenyl)silyl]oxypentane-1,5-diol is sourced from PubChem (CID 25133549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).