(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol

C28H36O2Si — CID 11546522

IUPAC(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
SMILESCC(C)(C)[Si](OCCC[C@@H](O)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-13-16-25(29)22-21-24-14-7-4-8-15-24/h4-12,14-15,17-20,25,29H,13,16,21-23H2,1-3H3/t25-/m1/s1
InChIKeySJISRBUNAJQIJC-RUZDIDTESA-N
MW432.68 g/mol
LogP5.34
Rot. Bonds10

About (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol

(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol (PubChem CID 11546522) has the molecular formula C28H36O2Si and a molecular weight of 432.68 g/mol. Its IUPAC name is (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol.

Molecular Properties

Compound Name(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
PubChem CID11546522
Molecular FormulaC28H36O2Si
Molecular Weight432.68 g/mol
Exact Mass432.25
IUPAC Name(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
SMILESCC(C)(C)[Si](OCCC[C@@H](O)CCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-13-16-25(29)22-21-24-14-7-4-8-15-24/h4-12,14-15,17-20,25,29H,13,16,21-23H2,1-3H3/t25-/m1/s1
InChIKeySJISRBUNAJQIJC-RUZDIDTESA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-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

Related Compounds

(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl (3R)-17-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecanoate
CID 11365406
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590

Frequently Asked Questions

What is the IUPAC name of (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol?
The IUPAC name of (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol (CID 11546522) is (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol.
What is the SMILES notation for (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol?
The canonical SMILES for (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol is CC(C)(C)[Si](OCCC[C@@H](O)CCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol?
The InChIKey is SJISRBUNAJQIJC-RUZDIDTESA-N. The full InChI is InChI=1S/C28H36O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-13-16-25(29)22-21-24-14-7-4-8-15-24/h4-12,14-15,17-20,25,29H,13,16,21-23H2,1-3H3/t25-/m1/s1.
What are the key properties of (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol?
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol has a molecular weight of 432.68 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol is sourced from PubChem (CID 11546522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).