1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol

C15H24OSi — CID 66756883

IUPAC1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol
SMILESCC1=C(CC(O)C#C[Si](C)(C)C)C2CCC1C2
InChIInChI=1S/C15H24OSi/c1-11-12-5-6-13(9-12)15(11)10-14(16)7-8-17(2,3)4/h12-14,16H,5-6,9-10H2,1-4H3
InChIKeyZJKVJHDOBVYAKB-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.36
Rot. Bonds2

About 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol

1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 66756883) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol
PubChem CID66756883
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol
SMILESCC1=C(CC(O)C#C[Si](C)(C)C)C2CCC1C2
InChIInChI=1S/C15H24OSi/c1-11-12-5-6-13(9-12)15(11)10-14(16)7-8-17(2,3)4/h12-14,16H,5-6,9-10H2,1-4H3
InChIKeyZJKVJHDOBVYAKB-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
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 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol (CID 66756883) is 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol is CC1=C(CC(O)C#C[Si](C)(C)C)C2CCC1C2.
What is the InChIKey of 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is ZJKVJHDOBVYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OSi/c1-11-12-5-6-13(9-12)15(11)10-14(16)7-8-17(2,3)4/h12-14,16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol?
1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 248.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 66756883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).