4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile

C17H23NO2Si — CID 11174126

IUPAC4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile
SMILESC[Si](C)(C#CCCCC#CC#C[C@@H](O)CO)CCCC#N
InChIInChI=1S/C17H23NO2Si/c1-21(2,15-11-9-13-18)14-10-7-5-3-4-6-8-12-17(20)16-19/h17,19-20H,3,5,7,9,11,15-16H2,1-2H3/t17-/m1/s1
InChIKeyITMVRZHFARFGPI-QGZVFWFLSA-N
MW301.46 g/mol
LogP2.07
Rot. Bonds6

About 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile

4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile (PubChem CID 11174126) has the molecular formula C17H23NO2Si and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile
PubChem CID11174126
Molecular FormulaC17H23NO2Si
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile
SMILESC[Si](C)(C#CCCCC#CC#C[C@@H](O)CO)CCCC#N
InChIInChI=1S/C17H23NO2Si/c1-21(2,15-11-9-13-18)14-10-7-5-3-4-6-8-12-17(20)16-19/h17,19-20H,3,5,7,9,11,15-16H2,1-2H3/t17-/m1/s1
InChIKeyITMVRZHFARFGPI-QGZVFWFLSA-N
XLogP2.07
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile?
The IUPAC name of 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile (CID 11174126) is 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile.
What is the SMILES notation for 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile?
The canonical SMILES for 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile is C[Si](C)(C#CCCCC#CC#C[C@@H](O)CO)CCCC#N.
What is the InChIKey of 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile?
The InChIKey is ITMVRZHFARFGPI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO2Si/c1-21(2,15-11-9-13-18)14-10-7-5-3-4-6-8-12-17(20)16-19/h17,19-20H,3,5,7,9,11,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile?
4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile has a molecular weight of 301.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(10R)-10,11-dihydroxyundeca-1,6,8-triynyl]-dimethylsilyl]butanenitrile is sourced from PubChem (CID 11174126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).