(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol

C38H50O4Si2 — CID 10746539

IUPAC(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
SMILESCC(C)(C)[Si](OC[C@H](O)CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H50O4Si2/c1-37(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-29-31(39)27-28-32(40)30-42-44(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32,39-40H,27-30H2,1-6H3/t31-,32-/m1/s1
InChIKeyRQGOAYIUBUGWKR-ROJLCIKYSA-N
MW626.99 g/mol
LogP5.64
Rot. Bonds13

About (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol (PubChem CID 10746539) has the molecular formula C38H50O4Si2 and a molecular weight of 626.99 g/mol. Its IUPAC name is (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol.

Molecular Properties

Compound Name(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
PubChem CID10746539
Molecular FormulaC38H50O4Si2
Molecular Weight626.99 g/mol
Exact Mass626.32
IUPAC Name(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
SMILESCC(C)(C)[Si](OC[C@H](O)CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H50O4Si2/c1-37(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-29-31(39)27-28-32(40)30-42-44(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32,39-40H,27-30H2,1-6H3/t31-,32-/m1/s1
InChIKeyRQGOAYIUBUGWKR-ROJLCIKYSA-N
XLogP5.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.99
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol?
The IUPAC name of (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol (CID 10746539) is (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol.
What is the SMILES notation for (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol?
The canonical SMILES for (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol is CC(C)(C)[Si](OC[C@H](O)CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol?
The InChIKey is RQGOAYIUBUGWKR-ROJLCIKYSA-N. The full InChI is InChI=1S/C38H50O4Si2/c1-37(2,3)43(33-19-11-7-12-20-33,34-21-13-8-14-22-34)41-29-31(39)27-28-32(40)30-42-44(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32,39-40H,27-30H2,1-6H3/t31-,32-/m1/s1.
What are the key properties of (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol?
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol has a molecular weight of 626.99 g/mol, XLogP of 5.64, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol is sourced from PubChem (CID 10746539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).