5-[chloro(dimethyl)silyl]pentanenitrile

C7H14ClNSi — CID 87524808

IUPAC5-[chloro(dimethyl)silyl]pentanenitrile
SMILESC[Si](C)(Cl)CCCCC#N
InChIInChI=1S/C7H14ClNSi/c1-10(2,8)7-5-3-4-6-9/h3-5,7H2,1-2H3
InChIKeyIXDUCRGLUZQOGL-UHFFFAOYSA-N
MW175.73 g/mol
LogP3.12
Rot. Bonds4

About 5-[chloro(dimethyl)silyl]pentanenitrile

5-[chloro(dimethyl)silyl]pentanenitrile (PubChem CID 87524808) has the molecular formula C7H14ClNSi and a molecular weight of 175.73 g/mol. Its IUPAC name is 5-[chloro(dimethyl)silyl]pentanenitrile.

Molecular Properties

Compound Name5-[chloro(dimethyl)silyl]pentanenitrile
PubChem CID87524808
Molecular FormulaC7H14ClNSi
Molecular Weight175.73 g/mol
Exact Mass175.06
IUPAC Name5-[chloro(dimethyl)silyl]pentanenitrile
SMILESC[Si](C)(Cl)CCCCC#N
InChIInChI=1S/C7H14ClNSi/c1-10(2,8)7-5-3-4-6-9/h3-5,7H2,1-2H3
InChIKeyIXDUCRGLUZQOGL-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.73
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro(dimethyl)silyl]pentanenitrile?
The IUPAC name of 5-[chloro(dimethyl)silyl]pentanenitrile (CID 87524808) is 5-[chloro(dimethyl)silyl]pentanenitrile.
What is the SMILES notation for 5-[chloro(dimethyl)silyl]pentanenitrile?
The canonical SMILES for 5-[chloro(dimethyl)silyl]pentanenitrile is C[Si](C)(Cl)CCCCC#N.
What is the InChIKey of 5-[chloro(dimethyl)silyl]pentanenitrile?
The InChIKey is IXDUCRGLUZQOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNSi/c1-10(2,8)7-5-3-4-6-9/h3-5,7H2,1-2H3.
What are the key properties of 5-[chloro(dimethyl)silyl]pentanenitrile?
5-[chloro(dimethyl)silyl]pentanenitrile has a molecular weight of 175.73 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(dimethyl)silyl]pentanenitrile is sourced from PubChem (CID 87524808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).