2-dimethylsilyl-3-hydroxypent-4-ynenitrile

C7H11NOSi — CID 174330645

IUPAC2-dimethylsilyl-3-hydroxypent-4-ynenitrile
SMILESC#CC(O)C(C#N)[SiH](C)C
InChIInChI=1S/C7H11NOSi/c1-4-6(9)7(5-8)10(2)3/h1,6-7,9-10H,2-3H3
InChIKeyDTPZEDVDKIJGAM-UHFFFAOYSA-N
MW153.26 g/mol
LogP0.36
Rot. Bonds2

About 2-dimethylsilyl-3-hydroxypent-4-ynenitrile

2-dimethylsilyl-3-hydroxypent-4-ynenitrile (PubChem CID 174330645) has the molecular formula C7H11NOSi and a molecular weight of 153.26 g/mol. Its IUPAC name is 2-dimethylsilyl-3-hydroxypent-4-ynenitrile.

Molecular Properties

Compound Name2-dimethylsilyl-3-hydroxypent-4-ynenitrile
PubChem CID174330645
Molecular FormulaC7H11NOSi
Molecular Weight153.26 g/mol
Exact Mass153.06
IUPAC Name2-dimethylsilyl-3-hydroxypent-4-ynenitrile
SMILESC#CC(O)C(C#N)[SiH](C)C
InChIInChI=1S/C7H11NOSi/c1-4-6(9)7(5-8)10(2)3/h1,6-7,9-10H,2-3H3
InChIKeyDTPZEDVDKIJGAM-UHFFFAOYSA-N
XLogP0.36
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-dimethylsilyl-3-hydroxypent-4-ynenitrile?
The IUPAC name of 2-dimethylsilyl-3-hydroxypent-4-ynenitrile (CID 174330645) is 2-dimethylsilyl-3-hydroxypent-4-ynenitrile.
What is the SMILES notation for 2-dimethylsilyl-3-hydroxypent-4-ynenitrile?
The canonical SMILES for 2-dimethylsilyl-3-hydroxypent-4-ynenitrile is C#CC(O)C(C#N)[SiH](C)C.
What is the InChIKey of 2-dimethylsilyl-3-hydroxypent-4-ynenitrile?
The InChIKey is DTPZEDVDKIJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOSi/c1-4-6(9)7(5-8)10(2)3/h1,6-7,9-10H,2-3H3.
What are the key properties of 2-dimethylsilyl-3-hydroxypent-4-ynenitrile?
2-dimethylsilyl-3-hydroxypent-4-ynenitrile has a molecular weight of 153.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-3-hydroxypent-4-ynenitrile is sourced from PubChem (CID 174330645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).