(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol

C23H32O3Si — CID 102172031

IUPAC(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1OCCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-18-16-22-21(24)15-10-17-25-22/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22-/m0/s1
InChIKeyOTPZRYRWVFSKNR-VXKWHMMOSA-N
MW384.59 g/mol
LogP3.49
Rot. Bonds6

About (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol

(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol (PubChem CID 102172031) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
PubChem CID102172031
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1OCCC[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32O3Si/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-18-16-22-21(24)15-10-17-25-22/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22-/m0/s1
InChIKeyOTPZRYRWVFSKNR-VXKWHMMOSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
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,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol?
The IUPAC name of (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol (CID 102172031) is (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol.
What is the SMILES notation for (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol?
The canonical SMILES for (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol is CC(C)(C)[Si](OCC[C@@H]1OCCC[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol?
The InChIKey is OTPZRYRWVFSKNR-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-23(2,3)27(19-11-6-4-7-12-19,20-13-8-5-9-14-20)26-18-16-22-21(24)15-10-17-25-22/h4-9,11-14,21-22,24H,10,15-18H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol?
(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol has a molecular weight of 384.59 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol is sourced from PubChem (CID 102172031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).