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

C27H40O4Si — CID 11167004

IUPAC(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
SMILESCCCCC[C@@H]1O[C@@H]([C@@H](O)CO)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O4Si/c1-5-6-9-18-24-26(19-25(30-24)23(29)20-28)31-32(27(2,3)4,21-14-10-7-11-15-21)22-16-12-8-13-17-22/h7-8,10-17,23-26,28-29H,5-6,9,18-20H2,1-4H3/t23-,24-,25+,26-/m0/s1
InChIKeyAFWANYUHCUIAIY-SSUZURRFSA-N
MW456.70 g/mol
LogP4.02
Rot. Bonds10

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

(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol (PubChem CID 11167004) has the molecular formula C27H40O4Si and a molecular weight of 456.70 g/mol. Its IUPAC name is (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
PubChem CID11167004
Molecular FormulaC27H40O4Si
Molecular Weight456.70 g/mol
Exact Mass456.27
IUPAC Name(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol
SMILESCCCCC[C@@H]1O[C@@H]([C@@H](O)CO)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O4Si/c1-5-6-9-18-24-26(19-25(30-24)23(29)20-28)31-32(27(2,3)4,21-14-10-7-11-15-21)22-16-12-8-13-17-22/h7-8,10-17,23-26,28-29H,5-6,9,18-20H2,1-4H3/t23-,24-,25+,26-/m0/s1
InChIKeyAFWANYUHCUIAIY-SSUZURRFSA-N
XLogP4.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.70
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
tert-butyl-[(2S,3S,5R)-5-[(2R)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane
CID 11305198
(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
CID 11858511
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
CID 15249300
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
(R)-5-((tert-butyldiphenylsilyl)oxy)hexan-1-ol
CID 15953234
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24755864
(S)-2-(tert-Butyldiphenylsilyloxy)pentan-1,5-diol
CID 25133549

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol (CID 11167004) is (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol is CCCCC[C@@H]1O[C@@H]([C@@H](O)CO)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is AFWANYUHCUIAIY-SSUZURRFSA-N. The full InChI is InChI=1S/C27H40O4Si/c1-5-6-9-18-24-26(19-25(30-24)23(29)20-28)31-32(27(2,3)4,21-14-10-7-11-15-21)22-16-12-8-13-17-22/h7-8,10-17,23-26,28-29H,5-6,9,18-20H2,1-4H3/t23-,24-,25+,26-/m0/s1.
What are the key properties of (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol?
(1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol has a molecular weight of 456.70 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-pentyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11167004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).