[(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

C83H139IO10Si2 — CID 159145435

IUPAC[(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
SMILESCC(C)(C)[Si](CI)(c1ccccc1)c1ccccc1.CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](O)CO.CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H68O5Si.C25H50O5.C17H21ISi/c1-6-8-10-12-13-14-15-17-25-31-40(43)46-37(26-20-16-11-9-7-2)32-33-44-34-36(42)35-45-47(41(3,4)5,38-27-21-18-22-28-38)39-29-23-19-24-30-39;1-3-5-7-9-10-11-12-14-16-18-25(28)30-24(17-15-13-8-6-4-2)19-20-29-22-23(27)21-26;1-17(2,3)19(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h18-19,21-24,27-30,36-37,42H,6-17,20,25-26,31-35H2,1-5H3;23-24,26-27H,3-22H2,1-2H3;4-13H,14H2,1-3H3/t36-,37-;23-,24+;/m10./s1
InChIKeyKIPWCHNAOZSKFO-LDECTOSTSA-N
MW1480.09 g/mol
LogP19.49
Rot. Bonds53

About [(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

[(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 (PubChem CID 159145435) has the molecular formula C83H139IO10Si2 and a molecular weight of 1480.09 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID159145435
Molecular FormulaC83H139IO10Si2
Molecular Weight1480.09 g/mol
Exact Mass1478.90
IUPAC Name[(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
SMILESCC(C)(C)[Si](CI)(c1ccccc1)c1ccccc1.CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](O)CO.CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H68O5Si.C25H50O5.C17H21ISi/c1-6-8-10-12-13-14-15-17-25-31-40(43)46-37(26-20-16-11-9-7-2)32-33-44-34-36(42)35-45-47(41(3,4)5,38-27-21-18-22-28-38)39-29-23-19-24-30-39;1-3-5-7-9-10-11-12-14-16-18-25(28)30-24(17-15-13-8-6-4-2)19-20-29-22-23(27)21-26;1-17(2,3)19(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h18-19,21-24,27-30,36-37,42H,6-17,20,25-26,31-35H2,1-5H3;23-24,26-27H,3-22H2,1-2H3;4-13H,14H2,1-3H3/t36-,37-;23-,24+;/m10./s1
InChIKeyKIPWCHNAOZSKFO-LDECTOSTSA-N
XLogP19.49
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds53
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001480.09
LogP ≤ 519.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

1-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]decan-3-yl dodecanoate
CID 20578345
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
[1-[tert-butyl(diphenyl)silyl]oxy-3-prop-2-enoxypropan-2-yl] hexadecanoate
CID 10919152
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
heptadecan-9-yl 8-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(8-nonoxy-8-oxooctoxy)phenoxy]octanoate
CID 172523169
3-(2,3-dihydroxypropoxy)propane-1,2-diol;octan-3-yl hexadecanoate
CID 174492103
[7-[4-[tert-butyl(diphenyl)silyl]oxybutylamino]-12-decanoyloxy-1,13-bis(pentylsulfanyl)tridecan-2-yl] decanoate
CID 171487369
methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
CID 10257143
[7-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]-12-decanoyloxy-1,13-bis(heptylsulfanyl)tridecan-2-yl] decanoate
CID 171487419
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
(3R)-1-[(2S)-2-(benzhydrylideneamino)butoxy]decan-3-ol;[(3R)-1-[(2S)-2-(benzhydrylideneamino)butoxy]decan-3-yl] dodecanoate
CID 90875438

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)(C)[Si](CI)(c1ccccc1)c1ccccc1.CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](O)CO.CCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(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?
The InChIKey is KIPWCHNAOZSKFO-LDECTOSTSA-N. The full InChI is InChI=1S/C41H68O5Si.C25H50O5.C17H21ISi/c1-6-8-10-12-13-14-15-17-25-31-40(43)46-37(26-20-16-11-9-7-2)32-33-44-34-36(42)35-45-47(41(3,4)5,38-27-21-18-22-28-38)39-29-23-19-24-30-39;1-3-5-7-9-10-11-12-14-16-18-25(28)30-24(17-15-13-8-6-4-2)19-20-29-22-23(27)21-26;1-17(2,3)19(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h18-19,21-24,27-30,36-37,42H,6-17,20,25-26,31-35H2,1-5H3;23-24,26-27H,3-22H2,1-2H3;4-13H,14H2,1-3H3/t36-,37-;23-,24+;/m10./s1.
What are the key properties of [(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?
[(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 has a molecular weight of 1480.09 g/mol, XLogP of 19.49, 53 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 159145435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).