[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

C31H56OSi2 — CID 134887221

IUPAC[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
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#C[Si](C)(C)C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C31H56OSi2/c1-13-28-19-20-29(27(7)8)30(28,9)22-23-31(21-17-18-26(5)6,24-25-33(10,11)12)32-34(14-2,15-3)16-4/h13,18-19,27,29H,1,14-17,20-23H2,2-12H3/t29-,30+,31?/m1/s1
InChIKeyLIBYYKDOZYAZER-AWZUCMKVSA-N
MW500.96 g/mol
LogP9.95
Rot. Bonds13

About [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

[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 (PubChem CID 134887221) has the molecular formula C31H56OSi2 and a molecular weight of 500.96 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID134887221
Molecular FormulaC31H56OSi2
Molecular Weight500.96 g/mol
Exact Mass500.39
IUPAC Name[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
SMILESC=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#C[Si](C)(C)C)(CCC=C(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C31H56OSi2/c1-13-28-19-20-29(27(7)8)30(28,9)22-23-31(21-17-18-26(5)6,24-25-33(10,11)12)32-34(14-2,15-3)16-4/h13,18-19,27,29H,1,14-17,20-23H2,2-12H3/t29-,30+,31?/m1/s1
InChIKeyLIBYYKDOZYAZER-AWZUCMKVSA-N
XLogP9.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.96
LogP ≤ 59.95
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 [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=CC1=CC[C@H](C(C)C)[C@@]1(C)CCC(C#C[Si](C)(C)C)(CCC=C(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-methyl-3-triethylsilyloxyoct-6-en-1-ynyl]-trimethylsilane?
The InChIKey is LIBYYKDOZYAZER-AWZUCMKVSA-N. The full InChI is InChI=1S/C31H56OSi2/c1-13-28-19-20-29(27(7)8)30(28,9)22-23-31(21-17-18-26(5)6,24-25-33(10,11)12)32-34(14-2,15-3)16-4/h13,18-19,27,29H,1,14-17,20-23H2,2-12H3/t29-,30+,31?/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-methyl-3-triethylsilyloxyoct-6-en-1-ynyl]-trimethylsilane?
[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 has a molecular weight of 500.96 g/mol, XLogP of 9.95, 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-methyl-3-triethylsilyloxyoct-6-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 134887221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).