ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate

C21H36O4Si — CID 101483549

IUPACethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate
SMILESCCOC(=O)CC[C@H](O)C[C@@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O4Si/c1-7-24-20(23)14-13-18(22)16-19(15-17-11-9-8-10-12-17)25-26(5,6)21(2,3)4/h8-12,18-19,22H,7,13-16H2,1-6H3/t18-,19+/m0/s1
InChIKeyACXDDAVWFDNYQJ-RBUKOAKNSA-N
MW380.60 g/mol
LogP4.71
Rot. Bonds10

About ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate

ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate (PubChem CID 101483549) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate.

Molecular Properties

Compound Nameethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate
PubChem CID101483549
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Nameethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate
SMILESCCOC(=O)CC[C@H](O)C[C@@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O4Si/c1-7-24-20(23)14-13-18(22)16-19(15-17-11-9-8-10-12-17)25-26(5,6)21(2,3)4/h8-12,18-19,22H,7,13-16H2,1-6H3/t18-,19+/m0/s1
InChIKeyACXDDAVWFDNYQJ-RBUKOAKNSA-N
XLogP4.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
ethyl (5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8-[2-[(E)-2-phenylethenyl]-1,3-dithian-2-yl]octanoate
CID 11180433
ethyl (3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 11419586
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
benzyl (2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-hydroxyhexadecanoate
CID 14847011
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentyl]-1,3-dithiolane-2-carboxylate
CID 11123955
ethyl (3R,5R)-3,5-dihydroxy-9-phenylnonanoate
CID 24766229
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate?
The IUPAC name of ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate (CID 101483549) is ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate.
What is the SMILES notation for ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate?
The canonical SMILES for ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate is CCOC(=O)CC[C@H](O)C[C@@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate?
The InChIKey is ACXDDAVWFDNYQJ-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-7-24-20(23)14-13-18(22)16-19(15-17-11-9-8-10-12-17)25-26(5,6)21(2,3)4/h8-12,18-19,22H,7,13-16H2,1-6H3/t18-,19+/m0/s1.
What are the key properties of ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate?
ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate has a molecular weight of 380.60 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7-phenylheptanoate is sourced from PubChem (CID 101483549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).