methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate

C24H40O5Si — CID 10895412

IUPACmethyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate
SMILESCC[Si](CC)(CC)O[C@@H](/C(C)=C/CCOCc1ccc(OC)cc1)[C@H](C)C(=O)OC
InChIInChI=1S/C24H40O5Si/c1-8-30(9-2,10-3)29-23(20(5)24(25)27-7)19(4)12-11-17-28-18-21-13-15-22(26-6)16-14-21/h12-16,20,23H,8-11,17-18H2,1-7H3/b19-12+/t20-,23-/m0/s1
InChIKeyMIPCNBXUBQTGQT-ZEOOZCGZSA-N
MW436.67 g/mol
LogP5.75
Rot. Bonds14

About methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate

methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate (PubChem CID 10895412) has the molecular formula C24H40O5Si and a molecular weight of 436.67 g/mol. Its IUPAC name is methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate.

Molecular Properties

Compound Namemethyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate
PubChem CID10895412
Molecular FormulaC24H40O5Si
Molecular Weight436.67 g/mol
Exact Mass436.26
IUPAC Namemethyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate
SMILESCC[Si](CC)(CC)O[C@@H](/C(C)=C/CCOCc1ccc(OC)cc1)[C@H](C)C(=O)OC
InChIInChI=1S/C24H40O5Si/c1-8-30(9-2,10-3)29-23(20(5)24(25)27-7)19(4)12-11-17-28-18-21-13-15-22(26-6)16-14-21/h12-16,20,23H,8-11,17-18H2,1-7H3/b19-12+/t20-,23-/m0/s1
InChIKeyMIPCNBXUBQTGQT-ZEOOZCGZSA-N
XLogP5.75
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 55.75
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233
triethyl-[(3R,4S)-1-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-3-yl]oxysilane
CID 11013916
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
(2S,3R,4S)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxypentanal
CID 11176467
(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
CID 101399709
methyl (E,4S,5R)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733589
ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate
CID 134839548
(2E,4R,5S,6E,8E,10S,11R,12S)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethyl-5-triethylsilyloxytetradeca-2,6,8-trienal
CID 11103666
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038
[(E,4R,5R)-3,5-dimethyl-6-oxo-6-phenyl-4-triethylsilyloxyhex-2-enyl] ethyl carbonate
CID 11316120

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate?
The IUPAC name of methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate (CID 10895412) is methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate.
What is the SMILES notation for methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate?
The canonical SMILES for methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate is CC[Si](CC)(CC)O[C@@H](/C(C)=C/CCOCc1ccc(OC)cc1)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate?
The InChIKey is MIPCNBXUBQTGQT-ZEOOZCGZSA-N. The full InChI is InChI=1S/C24H40O5Si/c1-8-30(9-2,10-3)29-23(20(5)24(25)27-7)19(4)12-11-17-28-18-21-13-15-22(26-6)16-14-21/h12-16,20,23H,8-11,17-18H2,1-7H3/b19-12+/t20-,23-/m0/s1.
What are the key properties of methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate?
methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate has a molecular weight of 436.67 g/mol, XLogP of 5.75, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate is sourced from PubChem (CID 10895412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).