(2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol

C29H68O5Si4 — CID 58017690

IUPAC(2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H68O5Si4/c1-26(2,3)35(13,14)31-22-24(33-37(17,18)28(7,8)9)25(34-38(19,20)29(10,11)12)23(21-30)32-36(15,16)27(4,5)6/h23-25,30H,21-22H2,1-20H3/t23-,24+,25-/m1/s1
InChIKeyROVILVFSRSPJMG-DSNGMDLFSA-N
MW609.20 g/mol
LogP9.17
Rot. Bonds12

About (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol

(2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol (PubChem CID 58017690) has the molecular formula C29H68O5Si4 and a molecular weight of 609.20 g/mol. Its IUPAC name is (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol.

Molecular Properties

Compound Name(2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
PubChem CID58017690
Molecular FormulaC29H68O5Si4
Molecular Weight609.20 g/mol
Exact Mass608.41
IUPAC Name(2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H68O5Si4/c1-26(2,3)35(13,14)31-22-24(33-37(17,18)28(7,8)9)25(34-38(19,20)29(10,11)12)23(21-30)32-36(15,16)27(4,5)6/h23-25,30H,21-22H2,1-20H3/t23-,24+,25-/m1/s1
InChIKeyROVILVFSRSPJMG-DSNGMDLFSA-N
XLogP9.17
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.20
LogP ≤ 59.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol?
The IUPAC name of (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol (CID 58017690) is (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol.
What is the SMILES notation for (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol?
The canonical SMILES for (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol is CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol?
The InChIKey is ROVILVFSRSPJMG-DSNGMDLFSA-N. The full InChI is InChI=1S/C29H68O5Si4/c1-26(2,3)35(13,14)31-22-24(33-37(17,18)28(7,8)9)25(34-38(19,20)29(10,11)12)23(21-30)32-36(15,16)27(4,5)6/h23-25,30H,21-22H2,1-20H3/t23-,24+,25-/m1/s1.
What are the key properties of (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol?
(2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol has a molecular weight of 609.20 g/mol, XLogP of 9.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol is sourced from PubChem (CID 58017690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).