methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate

C30H50O3Si — CID 11431738

IUPACmethyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC(=O)OC)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C30H50O3Si/c1-11-26-17-18-27(25(7)8)29(26,9)22-23-30(20-15-16-24(5)6,21-19-28(31)32-10)33-34(12-2,13-3)14-4/h11,16-17,25,27H,1,12-15,18,20,22-23H2,2-10H3/t27-,29+,30?/m1/s1
InChIKeyCRXFGINXMMHLBV-XYKBFVPCSA-N
MW486.81 g/mol
LogP8.24
Rot. Bonds13

About methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate

methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate (PubChem CID 11431738) has the molecular formula C30H50O3Si and a molecular weight of 486.81 g/mol. Its IUPAC name is methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate.

Molecular Properties

Compound Namemethyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate
PubChem CID11431738
Molecular FormulaC30H50O3Si
Molecular Weight486.81 g/mol
Exact Mass486.35
IUPAC Namemethyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC(=O)OC)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C30H50O3Si/c1-11-26-17-18-27(25(7)8)29(26,9)22-23-30(20-15-16-24(5)6,21-19-28(31)32-10)33-34(12-2,13-3)14-4/h11,16-17,25,27H,1,12-15,18,20,22-23H2,2-10H3/t27-,29+,30?/m1/s1
InChIKeyCRXFGINXMMHLBV-XYKBFVPCSA-N
XLogP8.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.81
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate?
The IUPAC name of methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate (CID 11431738) is methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate.
What is the SMILES notation for methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate?
The canonical SMILES for methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate is C=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC(=O)OC)(CCC=C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate?
The InChIKey is CRXFGINXMMHLBV-XYKBFVPCSA-N. The full InChI is InChI=1S/C30H50O3Si/c1-11-26-17-18-27(25(7)8)29(26,9)22-23-30(20-15-16-24(5)6,21-19-28(31)32-10)33-34(12-2,13-3)14-4/h11,16-17,25,27H,1,12-15,18,20,22-23H2,2-10H3/t27-,29+,30?/m1/s1.
What are the key properties of methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate?
methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate has a molecular weight of 486.81 g/mol, XLogP of 8.24, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methyl-4-triethylsilyloxynon-7-en-2-ynoate is sourced from PubChem (CID 11431738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).