2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol

C20H36O3Si2 — CID 54234765

IUPAC2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol
SMILESCC(C#CC1(O)C(C)=CC(O[Si](C)(C)C)C1(C)C)=CCO[Si](C)(C)C
InChIInChI=1S/C20H36O3Si2/c1-16(12-14-22-24(5,6)7)11-13-20(21)17(2)15-18(19(20,3)4)23-25(8,9)10/h12,15,18,21H,14H2,1-10H3
InChIKeyQLTOMLUJRPSRHE-UHFFFAOYSA-N
MW380.68 g/mol
LogP4.72
Rot. Bonds5

About 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol

2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol (PubChem CID 54234765) has the molecular formula C20H36O3Si2 and a molecular weight of 380.68 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol
PubChem CID54234765
Molecular FormulaC20H36O3Si2
Molecular Weight380.68 g/mol
Exact Mass380.22
IUPAC Name2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol
SMILESCC(C#CC1(O)C(C)=CC(O[Si](C)(C)C)C1(C)C)=CCO[Si](C)(C)C
InChIInChI=1S/C20H36O3Si2/c1-16(12-14-22-24(5,6)7)11-13-20(21)17(2)15-18(19(20,3)4)23-25(8,9)10/h12,15,18,21H,14H2,1-10H3
InChIKeyQLTOMLUJRPSRHE-UHFFFAOYSA-N
XLogP4.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 54.72
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol?
The IUPAC name of 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol (CID 54234765) is 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol.
What is the SMILES notation for 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol?
The canonical SMILES for 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol is CC(C#CC1(O)C(C)=CC(O[Si](C)(C)C)C1(C)C)=CCO[Si](C)(C)C.
What is the InChIKey of 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol?
The InChIKey is QLTOMLUJRPSRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si2/c1-16(12-14-22-24(5,6)7)11-13-20(21)17(2)15-18(19(20,3)4)23-25(8,9)10/h12,15,18,21H,14H2,1-10H3.
What are the key properties of 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol?
2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol has a molecular weight of 380.68 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-(3-methyl-5-trimethylsilyloxypent-3-en-1-ynyl)-4-trimethylsilyloxycyclopent-2-en-1-ol is sourced from PubChem (CID 54234765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).