methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate

C33H52O5Si — CID 10257143

IUPACmethyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
SMILESCOC(=O)CCCCCCCCCCCOC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C33H52O5Si/c1-33(2,3)39(30-21-15-13-16-22-30,31-23-17-14-18-24-31)38-28-29(35-4)27-37-26-20-12-10-8-6-7-9-11-19-25-32(34)36-5/h13-18,21-24,29H,6-12,19-20,25-28H2,1-5H3/t29-/m1/s1
InChIKeyXMVADDCXPFKEQS-GDLZYMKVSA-N
MW556.86 g/mol
LogP6.67
Rot. Bonds20

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

methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate (PubChem CID 10257143) has the molecular formula C33H52O5Si and a molecular weight of 556.86 g/mol. Its IUPAC name is methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate.

Molecular Properties

Compound Namemethyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
PubChem CID10257143
Molecular FormulaC33H52O5Si
Molecular Weight556.86 g/mol
Exact Mass556.36
IUPAC Namemethyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
SMILESCOC(=O)CCCCCCCCCCCOC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C33H52O5Si/c1-33(2,3)39(30-21-15-13-16-22-30,31-23-17-14-18-24-31)38-28-29(35-4)27-37-26-20-12-10-8-6-7-9-11-19-25-32(34)36-5/h13-18,21-24,29H,6-12,19-20,25-28H2,1-5H3/t29-/m1/s1
InChIKeyXMVADDCXPFKEQS-GDLZYMKVSA-N
XLogP6.67
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.86
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
[1-[tert-butyl(diphenyl)silyl]oxy-3-prop-2-enoxypropan-2-yl] hexadecanoate
CID 10919152
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
methyl 9-[2-[tert-butyl(diphenyl)silyl]oxyethylamino]dodecanoate
CID 10984064
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
CID 101065949
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
cis-(1R,3S)-3-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]cyclohexan-1-ol
CID 68878307
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379

Frequently Asked Questions

What is the IUPAC name of methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate?
The IUPAC name of methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate (CID 10257143) is methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate.
What is the SMILES notation for methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate?
The canonical SMILES for methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate is COC(=O)CCCCCCCCCCCOC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC.
What is the InChIKey of methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate?
The InChIKey is XMVADDCXPFKEQS-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H52O5Si/c1-33(2,3)39(30-21-15-13-16-22-30,31-23-17-14-18-24-31)38-28-29(35-4)27-37-26-20-12-10-8-6-7-9-11-19-25-32(34)36-5/h13-18,21-24,29H,6-12,19-20,25-28H2,1-5H3/t29-/m1/s1.
What are the key properties of methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate?
methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate has a molecular weight of 556.86 g/mol, XLogP of 6.67, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate is sourced from PubChem (CID 10257143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).