ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate

C35H64O4Si2 — CID 56969670

IUPACethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate
SMILESC=C(CCCCCCCCCCc1ccccc1)C[C@@](C)(O[Si](CC)(CC)CC)[C@@H](CC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C35H64O4Si2/c1-10-37-34(36)29-33(38-40(7,8)9)35(6,39-41(11-2,12-3)13-4)30-31(5)25-21-18-16-14-15-17-19-22-26-32-27-23-20-24-28-32/h20,23-24,27-28,33H,5,10-19,21-22,25-26,29-30H2,1-4,6-9H3/t33-,35-/m1/s1
InChIKeyLUNGNCGCIBBQEN-VLZNPVHKSA-N
MW605.07 g/mol
LogP10.64
Rot. Bonds24

About ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate

ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate (PubChem CID 56969670) has the molecular formula C35H64O4Si2 and a molecular weight of 605.07 g/mol. Its IUPAC name is ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Nameethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate
PubChem CID56969670
Molecular FormulaC35H64O4Si2
Molecular Weight605.07 g/mol
Exact Mass604.43
IUPAC Nameethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate
SMILESC=C(CCCCCCCCCCc1ccccc1)C[C@@](C)(O[Si](CC)(CC)CC)[C@@H](CC(=O)OCC)O[Si](C)(C)C
InChIInChI=1S/C35H64O4Si2/c1-10-37-34(36)29-33(38-40(7,8)9)35(6,39-41(11-2,12-3)13-4)30-31(5)25-21-18-16-14-15-17-19-22-26-32-27-23-20-24-28-32/h20,23-24,27-28,33H,5,10-19,21-22,25-26,29-30H2,1-4,6-9H3/t33-,35-/m1/s1
InChIKeyLUNGNCGCIBBQEN-VLZNPVHKSA-N
XLogP10.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.07
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate with MolForge

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Related Compounds

ethyl 2-cyano-2-methyl-4-methylidene-7-phenylheptanoate
CID 15439084
ethyl (3R,5R)-3,5-dihydroxy-9-phenylnonanoate
CID 24766229
ethyl 8-hydroxy-6-methylidene-8-phenyloctanoate
CID 11033134
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
ethyl (4S)-4-(7-phenylheptanoylamino)-5-(3H-pyrrol-5-yl)pentanoate
CID 58929441
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
2-methylnonyl 9-phenylnonanoate
CID 153439717
diethyl 2-[(3-hydroxy-3-methyl-5-phenylpentyl)amino]nonanedioate
CID 20531207
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate?
The IUPAC name of ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate (CID 56969670) is ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate?
The canonical SMILES for ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate is C=C(CCCCCCCCCCc1ccccc1)C[C@@](C)(O[Si](CC)(CC)CC)[C@@H](CC(=O)OCC)O[Si](C)(C)C.
What is the InChIKey of ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate?
The InChIKey is LUNGNCGCIBBQEN-VLZNPVHKSA-N. The full InChI is InChI=1S/C35H64O4Si2/c1-10-37-34(36)29-33(38-40(7,8)9)35(6,39-41(11-2,12-3)13-4)30-31(5)25-21-18-16-14-15-17-19-22-26-32-27-23-20-24-28-32/h20,23-24,27-28,33H,5,10-19,21-22,25-26,29-30H2,1-4,6-9H3/t33-,35-/m1/s1.
What are the key properties of ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate?
ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate has a molecular weight of 605.07 g/mol, XLogP of 10.64, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-4-methyl-6-methylidene-16-phenyl-4-triethylsilyloxy-3-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 56969670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).