methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate

C33H46O3Si2 — CID 10745173

IUPACmethyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate
SMILESCOC(=O)C[C@H](CCC(C[C@@H](C)OCc1ccccc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C33H46O3Si2/c1-27(36-26-28-16-10-7-11-17-28)24-31(37(3,4)29-18-12-8-13-19-29)22-23-32(25-33(34)35-2)38(5,6)30-20-14-9-15-21-30/h7-21,27,31-32H,22-26H2,1-6H3/t27-,31?,32+/m1/s1
InChIKeyRVNGLCZVBFGKRP-NZFOUTAESA-N
MW546.90 g/mol
LogP7.30
Rot. Bonds14

About methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate

methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate (PubChem CID 10745173) has the molecular formula C33H46O3Si2 and a molecular weight of 546.90 g/mol. Its IUPAC name is methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate.

Molecular Properties

Compound Namemethyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate
PubChem CID10745173
Molecular FormulaC33H46O3Si2
Molecular Weight546.90 g/mol
Exact Mass546.30
IUPAC Namemethyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate
SMILESCOC(=O)C[C@H](CCC(C[C@@H](C)OCc1ccccc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C33H46O3Si2/c1-27(36-26-28-16-10-7-11-17-28)24-31(37(3,4)29-18-12-8-13-19-29)22-23-32(25-33(34)35-2)38(5,6)30-20-14-9-15-21-30/h7-21,27,31-32H,22-26H2,1-6H3/t27-,31?,32+/m1/s1
InChIKeyRVNGLCZVBFGKRP-NZFOUTAESA-N
XLogP7.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.90
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate with MolForge

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Related Compounds

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CID 13496815
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
methyl 4-bromo-3-phenylmethoxybutanoate
CID 23256163
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
(3S)-2,3-dimethyl-5-phenylmethoxyhexanoic acid
CID 175615592
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
ethane-1,2-diol;methyl 3-phenyl-3-phenylmethoxypropanoate
CID 174718709
methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoate
CID 11415120
methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
CID 11649711
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126

Frequently Asked Questions

What is the IUPAC name of methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate?
The IUPAC name of methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate (CID 10745173) is methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate.
What is the SMILES notation for methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate?
The canonical SMILES for methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate is COC(=O)C[C@H](CCC(C[C@@H](C)OCc1ccccc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate?
The InChIKey is RVNGLCZVBFGKRP-NZFOUTAESA-N. The full InChI is InChI=1S/C33H46O3Si2/c1-27(36-26-28-16-10-7-11-17-28)24-31(37(3,4)29-18-12-8-13-19-29)22-23-32(25-33(34)35-2)38(5,6)30-20-14-9-15-21-30/h7-21,27,31-32H,22-26H2,1-6H3/t27-,31?,32+/m1/s1.
What are the key properties of methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate?
methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate has a molecular weight of 546.90 g/mol, XLogP of 7.30, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,6S,8R)-3,6-bis[dimethyl(phenyl)silyl]-8-phenylmethoxynonanoate is sourced from PubChem (CID 10745173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).