(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol

C25H34O4Si — CID 56988444

IUPAC(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol
SMILESCOC=CC[C@H]1C(O)CO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(20-12-7-5-8-13-20,21-14-9-6-10-15-21)29-19-24-22(16-11-17-27-4)23(26)18-28-24/h5-15,17,22-24,26H,16,18-19H2,1-4H3/t22-,23?,24+/m0/s1
InChIKeyYYSJUXOTBQYUIB-LIDAZEJRSA-N
MW426.63 g/mol
LogP3.49
Rot. Bonds8

About (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol

(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol (PubChem CID 56988444) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol
PubChem CID56988444
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Name(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol
SMILESCOC=CC[C@H]1C(O)CO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O4Si/c1-25(2,3)30(20-12-7-5-8-13-20,21-14-9-6-10-15-21)29-19-24-22(16-11-17-27-4)23(26)18-28-24/h5-15,17,22-24,26H,16,18-19H2,1-4H3/t22-,23?,24+/m0/s1
InChIKeyYYSJUXOTBQYUIB-LIDAZEJRSA-N
XLogP3.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol?
The IUPAC name of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol (CID 56988444) is (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol is COC=CC[C@H]1C(O)CO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol?
The InChIKey is YYSJUXOTBQYUIB-LIDAZEJRSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-25(2,3)30(20-12-7-5-8-13-20,21-14-9-6-10-15-21)29-19-24-22(16-11-17-27-4)23(26)18-28-24/h5-15,17,22-24,26H,16,18-19H2,1-4H3/t22-,23?,24+/m0/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol?
(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol has a molecular weight of 426.63 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxyprop-2-enyl)oxolan-3-ol is sourced from PubChem (CID 56988444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).