methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate

C32H50O5Si — CID 10256822

IUPACmethyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
SMILESCOC(=O)CCCCCCCCCCCOC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H50O5Si/c1-32(2,3)38(29-20-14-12-15-21-29,30-22-16-13-17-23-30)37-27-28(33)26-36-25-19-11-9-7-5-6-8-10-18-24-31(34)35-4/h12-17,20-23,28,33H,5-11,18-19,24-27H2,1-4H3/t28-/m0/s1
InChIKeyJROTWEDLSPBKQM-NDEPHWFRSA-N
MW542.83 g/mol
LogP6.01
Rot. Bonds19

About methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate

methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate (PubChem CID 10256822) has the molecular formula C32H50O5Si and a molecular weight of 542.83 g/mol. Its IUPAC name is methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate.

Molecular Properties

Compound Namemethyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
PubChem CID10256822
Molecular FormulaC32H50O5Si
Molecular Weight542.83 g/mol
Exact Mass542.34
IUPAC Namemethyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
SMILESCOC(=O)CCCCCCCCCCCOC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H50O5Si/c1-32(2,3)38(29-20-14-12-15-21-29,30-22-16-13-17-23-30)37-27-28(33)26-36-25-19-11-9-7-5-6-8-10-18-24-31(34)35-4/h12-17,20-23,28,33H,5-11,18-19,24-27H2,1-4H3/t28-/m0/s1
InChIKeyJROTWEDLSPBKQM-NDEPHWFRSA-N
XLogP6.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.83
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate 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

methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
CID 10257143
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate
CID 10984064
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(3R)-1-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl] dodecanoate;tert-butyl-(iodomethyl)-diphenylsilane;[(3R)-1-[(2S)-2,3-dihydroxypropoxy]decan-3-yl] dodecanoate
CID 159145435
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
methyl 4-(2-hydroxy-3-phenylpropoxy)butanoate
CID 175954688
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130

Frequently Asked Questions

What is the IUPAC name of methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate?
The IUPAC name of methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate (CID 10256822) is methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate.
What is the SMILES notation for methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate?
The canonical SMILES for methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate is COC(=O)CCCCCCCCCCCOC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate?
The InChIKey is JROTWEDLSPBKQM-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H50O5Si/c1-32(2,3)38(29-20-14-12-15-21-29,30-22-16-13-17-23-30)37-27-28(33)26-36-25-19-11-9-7-5-6-8-10-18-24-31(34)35-4/h12-17,20-23,28,33H,5-11,18-19,24-27H2,1-4H3/t28-/m0/s1.
What are the key properties of methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate?
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate has a molecular weight of 542.83 g/mol, XLogP of 6.01, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate is sourced from PubChem (CID 10256822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).