(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol

C24H36O4Si — CID 11742663

IUPAC(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCO
InChIInChI=1S/C24H36O4Si/c1-20(16-17-25)23(27-19-26-5)18-28-29(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23,25H,16-19H2,1-5H3/t20-,23+/m0/s1
InChIKeySOZPRBCNABQZBH-NZQKXSOJSA-N
MW416.63 g/mol
LogP3.57
Rot. Bonds11

About (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol

(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol (PubChem CID 11742663) has the molecular formula C24H36O4Si and a molecular weight of 416.63 g/mol. Its IUPAC name is (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
PubChem CID11742663
Molecular FormulaC24H36O4Si
Molecular Weight416.63 g/mol
Exact Mass416.24
IUPAC Name(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
SMILESCOCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCO
InChIInChI=1S/C24H36O4Si/c1-20(16-17-25)23(27-19-26-5)18-28-29(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23,25H,16-19H2,1-5H3/t20-,23+/m0/s1
InChIKeySOZPRBCNABQZBH-NZQKXSOJSA-N
XLogP3.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.63
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
(3R,5S,7S,8S)-9-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyl-8-(phenylmethoxymethoxy)nonan-1-ol
CID 101267153
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
tert-butyl N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-(methoxymethoxy)pentyl]carbamate
CID 11432569
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)-2,4-dimethylpentanoate
CID 11134524
methyl (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-4-(phenylmethoxymethoxy)pentanoate
CID 11081908
2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 132938512

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol?
The IUPAC name of (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol (CID 11742663) is (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol.
What is the SMILES notation for (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol?
The canonical SMILES for (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol is COCO[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCO.
What is the InChIKey of (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol?
The InChIKey is SOZPRBCNABQZBH-NZQKXSOJSA-N. The full InChI is InChI=1S/C24H36O4Si/c1-20(16-17-25)23(27-19-26-5)18-28-29(24(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23,25H,16-19H2,1-5H3/t20-,23+/m0/s1.
What are the key properties of (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol?
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol has a molecular weight of 416.63 g/mol, XLogP of 3.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol is sourced from PubChem (CID 11742663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).