(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol

C24H36O2Si — CID 58876341

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
SMILESCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C24H36O2Si/c1-6-7-10-19-23(20(2)25)26-27(24(3,4)5,21-15-11-8-12-16-21)22-17-13-9-14-18-22/h8-9,11-18,20,23,25H,6-7,10,19H2,1-5H3/t20?,23-/m1/s1
InChIKeyCVLTYLDAXMAGGA-GWQXNCQPSA-N
MW384.64 g/mol
LogP4.89
Rot. Bonds9

About (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol

(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol (PubChem CID 58876341) has the molecular formula C24H36O2Si and a molecular weight of 384.64 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
PubChem CID58876341
Molecular FormulaC24H36O2Si
Molecular Weight384.64 g/mol
Exact Mass384.25
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
SMILESCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C24H36O2Si/c1-6-7-10-19-23(20(2)25)26-27(24(3,4)5,21-15-11-8-12-16-21)22-17-13-9-14-18-22/h8-9,11-18,20,23,25H,6-7,10,19H2,1-5H3/t20?,23-/m1/s1
InChIKeyCVLTYLDAXMAGGA-GWQXNCQPSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 54.89
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'}

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Related Compounds

(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
CID 86716473
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol (CID 58876341) is (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol is CCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
The InChIKey is CVLTYLDAXMAGGA-GWQXNCQPSA-N. The full InChI is InChI=1S/C24H36O2Si/c1-6-7-10-19-23(20(2)25)26-27(24(3,4)5,21-15-11-8-12-16-21)22-17-13-9-14-18-22/h8-9,11-18,20,23,25H,6-7,10,19H2,1-5H3/t20?,23-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol?
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol has a molecular weight of 384.64 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol is sourced from PubChem (CID 58876341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).