methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate

C37H60O3Si — CID 11028270

IUPACmethyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate
SMILESCOC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H60O3Si/c1-30(20-16-22-32(3)28-36(38)39-8)18-15-19-31(2)21-17-23-33(4)29-40-41(37(5,6)7,34-24-11-9-12-25-34)35-26-13-10-14-27-35/h9-14,24-27,30-33H,15-23,28-29H2,1-8H3/t30-,31+,32-,33+/m1/s1
InChIKeyFPWIWQGWQLZBTM-LVVLYVGBSA-N
MW580.97 g/mol
LogP9.18
Rot. Bonds19

About methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate

methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate (PubChem CID 11028270) has the molecular formula C37H60O3Si and a molecular weight of 580.97 g/mol. Its IUPAC name is methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Namemethyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate
PubChem CID11028270
Molecular FormulaC37H60O3Si
Molecular Weight580.97 g/mol
Exact Mass580.43
IUPAC Namemethyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate
SMILESCOC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H60O3Si/c1-30(20-16-22-32(3)28-36(38)39-8)18-15-19-31(2)21-17-23-33(4)29-40-41(37(5,6)7,34-24-11-9-12-25-34)35-26-13-10-14-27-35/h9-14,24-27,30-33H,15-23,28-29H2,1-8H3/t30-,31+,32-,33+/m1/s1
InChIKeyFPWIWQGWQLZBTM-LVVLYVGBSA-N
XLogP9.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.97
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate with MolForge

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Related Compounds

Benzenepropanoic acid, 3-phenylpropyl ester
CID 108879
Ethyl diphenylacetate
CID 226748
Methyl 13-phenyltridecanoate
CID 19792507
methyl (1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-ene-1-carboxylate
CID 24864449
5-Phenylvaleric acid, 2-ethylhexyl ester
CID 91723577
Methyl 6-[4-[[4-(6-methoxy-6-oxohexyl)phenyl]methyl]phenyl]hexanoate
CID 235791
2-Cyclopropene-1-carboxylic acid, 2,3-diphenyl-, methyl ester
CID 139049
Methyl 14-phenyltetradecanoate
CID 162820188
methyl (1S,5R,6S)-4-methyl-5-(3-methylbut-2-enyl)-6-phenylcyclohex-3-ene-1-carboxylate
CID 163040699
Methyl 3,3-diphenylpropanoate
CID 1532830
Ethyl 2,3-diphenylcycloprop-2-ene-1-carboxylate
CID 281943
Ethyl 3,3-diphenylpropanoate
CID 344791

Frequently Asked Questions

What is the IUPAC name of methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate (CID 11028270) is methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate is COC(=O)C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate?
The InChIKey is FPWIWQGWQLZBTM-LVVLYVGBSA-N. The full InChI is InChI=1S/C37H60O3Si/c1-30(20-16-22-32(3)28-36(38)39-8)18-15-19-31(2)21-17-23-33(4)29-40-41(37(5,6)7,34-24-11-9-12-25-34)35-26-13-10-14-27-35/h9-14,24-27,30-33H,15-23,28-29H2,1-8H3/t30-,31+,32-,33+/m1/s1.
What are the key properties of methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate?
methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate has a molecular weight of 580.97 g/mol, XLogP of 9.18, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,7R,11S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 11028270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).