(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol

C22H32O3Si — CID 11783644

IUPAC(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
SMILESC[C@H](CO)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O3Si/c1-18(16-23)15-19(24)17-25-26(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,23-24H,15-17H2,1-4H3/t18-,19+/m0/s1
InChIKeyFWCQJBGMXSBNTM-RBUKOAKNSA-N
MW372.58 g/mol
LogP2.94
Rot. Bonds8

About (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol (PubChem CID 11783644) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol.

Molecular Properties

Compound Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
PubChem CID11783644
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
SMILESC[C@H](CO)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H32O3Si/c1-18(16-23)15-19(24)17-25-26(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,23-24H,15-17H2,1-4H3/t18-,19+/m0/s1
InChIKeyFWCQJBGMXSBNTM-RBUKOAKNSA-N
XLogP2.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol?
The IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol (CID 11783644) is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol.
What is the SMILES notation for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol?
The canonical SMILES for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol is C[C@H](CO)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol?
The InChIKey is FWCQJBGMXSBNTM-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-18(16-23)15-19(24)17-25-26(22(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,23-24H,15-17H2,1-4H3/t18-,19+/m0/s1.
What are the key properties of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol?
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol has a molecular weight of 372.58 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol is sourced from PubChem (CID 11783644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).