[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane

C28H48OSi — CID 101201507

IUPAC[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane
SMILESC#CC(CCC=C(C)C)(CC[C@@]1(C)C(C=C)=CC[C@@H]1C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C28H48OSi/c1-11-25-18-19-26(24(8)9)27(25,10)21-22-28(12-2,20-16-17-23(6)7)29-30(13-3,14-4)15-5/h2,11,17-18,24,26H,1,13-16,19-22H2,3-10H3/t26-,27+,28?/m1/s1
InChIKeyFRPQEUQJVYZOKY-ANUFDVCNSA-N
MW428.78 g/mol
LogP8.70
Rot. Bonds13

About [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane

[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane (PubChem CID 101201507) has the molecular formula C28H48OSi and a molecular weight of 428.78 g/mol. Its IUPAC name is [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane
PubChem CID101201507
Molecular FormulaC28H48OSi
Molecular Weight428.78 g/mol
Exact Mass428.35
IUPAC Name[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane
SMILESC#CC(CCC=C(C)C)(CC[C@@]1(C)C(C=C)=CC[C@@H]1C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C28H48OSi/c1-11-25-18-19-26(24(8)9)27(25,10)21-22-28(12-2,20-16-17-23(6)7)29-30(13-3,14-4)15-5/h2,11,17-18,24,26H,1,13-16,19-22H2,3-10H3/t26-,27+,28?/m1/s1
InChIKeyFRPQEUQJVYZOKY-ANUFDVCNSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.78
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane with MolForge

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Launch Full Analysis

Related Compounds

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
[(3R,3aR)-3a-methyl-3-propan-2-yl-2,3,4,5,6,7-hexahydrobenzo[f]azulen-5a-yl]oxy-triethylsilane
CID 12172116
[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl]oxy-triethylsilane
CID 101201508
triethyl-[(6S)-5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl]oxysilane
CID 101571970
[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyl-3-triethylsilyloxyoct-6-en-1-ynyl]-trimethylsilane
CID 134887221
[(6R,7R)-2,6-dimethyl-7-[(1S)-1-methylcyclohex-2-en-1-yl]octan-2-yl]oxy-triethylsilane
CID 10761443
tert-butyl-[3-[(1R,4S)-4-but-3-ynyl-3-methylcyclopent-2-en-1-yl]-2,2-dimethylpropoxy]-dimethylsilane
CID 10882222
Triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane
CID 57380129
tert-butyl-[1-[(3S)-3-(2,2-dimethylbut-3-enyl)-3-methylcyclopenten-1-yl]ethenoxy]-dimethylsilane
CID 71492112
3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-ol
CID 101201505
[4-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-8-methylnon-7-en-2-yn-4-yl] triethyl silicate
CID 101394301
[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyl-1-trimethylsilyloct-6-en-1-yn-3-yl] triethyl silicate
CID 101394302

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
The IUPAC name of [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane (CID 101201507) is [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane.
What is the SMILES notation for [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
The canonical SMILES for [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane is C#CC(CCC=C(C)C)(CC[C@@]1(C)C(C=C)=CC[C@@H]1C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
The InChIKey is FRPQEUQJVYZOKY-ANUFDVCNSA-N. The full InChI is InChI=1S/C28H48OSi/c1-11-25-18-19-26(24(8)9)27(25,10)21-22-28(12-2,20-16-17-23(6)7)29-30(13-3,14-4)15-5/h2,11,17-18,24,26H,1,13-16,19-22H2,3-10H3/t26-,27+,28?/m1/s1.
What are the key properties of [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane?
[3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane has a molecular weight of 428.78 g/mol, XLogP of 8.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(1R,5R)-2-ethenyl-1-methyl-5-propan-2-ylcyclopent-2-en-1-yl]ethyl]-7-methyloct-6-en-1-yn-3-yl]oxy-triethylsilane is sourced from PubChem (CID 101201507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).