[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

C29H50OSi — CID 101201508

IUPAC[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
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C29H50OSi/c1-11-20-29(21-16-17-24(6)7,30-31(13-3,14-4)15-5)23-22-28(10)26(12-2)18-19-27(28)25(8)9/h12,17-18,25,27H,2,13-16,19,21-23H2,1,3-10H3/t27-,28+,29?/m1/s1
InChIKeyJVAUGGMZHNPZOL-PEIRWHMSSA-N
MW442.80 g/mol
LogP9.09
Rot. Bonds13

About [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

[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 (PubChem CID 101201508) has the molecular formula C29H50OSi and a molecular weight of 442.80 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID101201508
Molecular FormulaC29H50OSi
Molecular Weight442.80 g/mol
Exact Mass442.36
IUPAC Name[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
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C29H50OSi/c1-11-20-29(21-16-17-24(6)7,30-31(13-3,14-4)15-5)23-22-28(10)26(12-2)18-19-27(28)25(8)9/h12,17-18,25,27H,2,13-16,19,21-23H2,1,3-10H3/t27-,28+,29?/m1/s1
InChIKeyJVAUGGMZHNPZOL-PEIRWHMSSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.80
LogP ≤ 59.09
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'}

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#CC)(CCC=C(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [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?
The InChIKey is JVAUGGMZHNPZOL-PEIRWHMSSA-N. The full InChI is InChI=1S/C29H50OSi/c1-11-20-29(21-16-17-24(6)7,30-31(13-3,14-4)15-5)23-22-28(10)26(12-2)18-19-27(28)25(8)9/h12,17-18,25,27H,2,13-16,19,21-23H2,1,3-10H3/t27-,28+,29?/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 442.80 g/mol, XLogP of 9.09, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 101201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).