(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol

C26H36O3Si — CID 10002494

IUPAC(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol
SMILESCC(C)(C)[Si](OCCCC[C@@H](O)[C@@]1(C)C=CCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O3Si/c1-25(2,3)30(22-14-7-5-8-15-22,23-16-9-6-10-17-23)29-21-12-11-18-24(27)26(4)19-13-20-28-26/h5-10,13-17,19,24,27H,11-12,18,20-21H2,1-4H3/t24-,26-/m1/s1
InChIKeyJTYYBFGEBKPSDR-AOYPEHQESA-N
MW424.66 g/mol
LogP4.44
Rot. Bonds9

About (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol

(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol (PubChem CID 10002494) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol
PubChem CID10002494
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Name(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol
SMILESCC(C)(C)[Si](OCCCC[C@@H](O)[C@@]1(C)C=CCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O3Si/c1-25(2,3)30(22-14-7-5-8-15-22,23-16-9-6-10-17-23)29-21-12-11-18-24(27)26(4)19-13-20-28-26/h5-10,13-17,19,24,27H,11-12,18,20-21H2,1-4H3/t24-,26-/m1/s1
InChIKeyJTYYBFGEBKPSDR-AOYPEHQESA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
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CID 11090300
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(E,4R,5S,6S,7R)-14-[tert-butyl(diphenyl)silyl]oxy-5,6,7-trichlorotetradec-2-en-4-ol
CID 46915467
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198

Frequently Asked Questions

What is the IUPAC name of (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol?
The IUPAC name of (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol (CID 10002494) is (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol.
What is the SMILES notation for (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol?
The canonical SMILES for (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol is CC(C)(C)[Si](OCCCC[C@@H](O)[C@@]1(C)C=CCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol?
The InChIKey is JTYYBFGEBKPSDR-AOYPEHQESA-N. The full InChI is InChI=1S/C26H36O3Si/c1-25(2,3)30(22-14-7-5-8-15-22,23-16-9-6-10-17-23)29-21-12-11-18-24(27)26(4)19-13-20-28-26/h5-10,13-17,19,24,27H,11-12,18,20-21H2,1-4H3/t24-,26-/m1/s1.
What are the key properties of (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol?
(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol has a molecular weight of 424.66 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-5-methyl-2H-furan-5-yl]pentan-1-ol is sourced from PubChem (CID 10002494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).