[[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid

C17H30O2Si — CID 91087259

IUPAC[[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid
SMILESCCC(C)C(C1CC2C=CC1C2)[Si](CC)(CC)C(=O)O
InChIInChI=1S/C17H30O2Si/c1-5-12(4)16(20(6-2,7-3)17(18)19)15-11-13-8-9-14(15)10-13/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,18,19)
InChIKeyWCEYDQYIVXYHBP-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.36
Rot. Bonds7

About [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid

[[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid (PubChem CID 91087259) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid.

Molecular Properties

Compound Name[[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid
PubChem CID91087259
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name[[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid
SMILESCCC(C)C(C1CC2C=CC1C2)[Si](CC)(CC)C(=O)O
InChIInChI=1S/C17H30O2Si/c1-5-12(4)16(20(6-2,7-3)17(18)19)15-11-13-8-9-14(15)10-13/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,18,19)
InChIKeyWCEYDQYIVXYHBP-UHFFFAOYSA-N
XLogP5.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.36
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'}

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Related Compounds

5-(2-bicyclo[2.2.1]hept-5-enyl)hept-1-en-3-one
CID 147676790
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
CID 61499787
(2S)-2-amino-2-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 124525084
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-ethylpentan-1-ol
CID 59039372
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
CID 43777968
3-(2-bicyclo[2.2.1]hept-5-enyl)-3-(2-iodoacetyl)oxypropanoic acid
CID 159487796
2-(2-bicyclo[2.2.1]hept-5-enyl)-2-(3-ethyloxetan-3-yl)acetic acid
CID 68540334
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-ethyl-N-methylacetamide
CID 114132337
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
CID 43777460

Frequently Asked Questions

What is the IUPAC name of [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid?
The IUPAC name of [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid (CID 91087259) is [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid.
What is the SMILES notation for [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid?
The canonical SMILES for [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid is CCC(C)C(C1CC2C=CC1C2)[Si](CC)(CC)C(=O)O.
What is the InChIKey of [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid?
The InChIKey is WCEYDQYIVXYHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-5-12(4)16(20(6-2,7-3)17(18)19)15-11-13-8-9-14(15)10-13/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,18,19).
What are the key properties of [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid?
[[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid has a molecular weight of 294.51 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbutyl]-diethylsilyl]formic acid is sourced from PubChem (CID 91087259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).