methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate

C20H38O4Si — CID 134970369

IUPACmethyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate
SMILESC=CCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O)C/C=C/C(=O)OC
InChIInChI=1S/C20H38O4Si/c1-7-11-12-15-19(24-25(8-2,9-3)10-4)17(5)18(21)14-13-16-20(22)23-6/h7,13,16-19,21H,1,8-12,14-15H2,2-6H3/b16-13+/t17-,18+,19-/m1/s1
InChIKeyUFMZXZVTVWZENA-BFJJTLHJSA-N
MW370.61 g/mol
LogP4.85
Rot. Bonds14

About methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate

methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate (PubChem CID 134970369) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate.

Molecular Properties

Compound Namemethyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate
PubChem CID134970369
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namemethyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate
SMILESC=CCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O)C/C=C/C(=O)OC
InChIInChI=1S/C20H38O4Si/c1-7-11-12-15-19(24-25(8-2,9-3)10-4)17(5)18(21)14-13-16-20(22)23-6/h7,13,16-19,21H,1,8-12,14-15H2,2-6H3/b16-13+/t17-,18+,19-/m1/s1
InChIKeyUFMZXZVTVWZENA-BFJJTLHJSA-N
XLogP4.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate with MolForge

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Launch Full Analysis

Related Compounds

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CID 6438891
Dictyostatin
CID 11353099
16-Desmethyldictyostatin
CID 11295339
(3Z,5E,8R,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-13,15,17,21-tetramethyl-1-oxacyclodocosa-3,5,11-trien-2-one
CID 44593440
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-1-oxacyclodocosa-3,5,11-trien-2-one
CID 16732547
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,16Z,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyl-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 16733269
(3E,5E,7R,8S,10S,11Z,13S,14R,15S,16Z,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyl-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 16733270
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,14,20-trihydroxy-10-methoxy-7,13,15,17,21-pentamethyl-1-oxacyclodocosa-3,5,11-trien-2-one
CID 16739315
(3Z,5E,7R,8S,10R,11Z,13S,14R,15S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyl-1-oxacyclodocosa-3,5,11-trien-2-one
CID 44431124
(3Z,5E,7R,8S,10R,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-1-oxacyclodocosa-3,5,11-trien-2-one
CID 44431125
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17R,20R)-8,10,14-trihydroxy-20-[(2R,3S,4S,5Z)-3-hydroxy-4-methylocta-5,7-dien-2-yl]-7,13,15,17-tetramethyl-1-oxacycloicosa-3,5,11-trien-2-one
CID 16732548
(3Z,5E,7R,8S,10R,11Z,13S,14R,15S,16Z,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyl-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 16733578

Frequently Asked Questions

What is the IUPAC name of methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate?
The IUPAC name of methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate (CID 134970369) is methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate.
What is the SMILES notation for methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate?
The canonical SMILES for methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate is C=CCCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O)C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate?
The InChIKey is UFMZXZVTVWZENA-BFJJTLHJSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-7-11-12-15-19(24-25(8-2,9-3)10-4)17(5)18(21)14-13-16-20(22)23-6/h7,13,16-19,21H,1,8-12,14-15H2,2-6H3/b16-13+/t17-,18+,19-/m1/s1.
What are the key properties of methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate?
methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate has a molecular weight of 370.61 g/mol, XLogP of 4.85, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,5S,6R,7R)-5-hydroxy-6-methyl-7-triethylsilyloxydodeca-2,11-dienoate is sourced from PubChem (CID 134970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).