4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile

C10H18N2OSi — CID 170685707

IUPAC4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
SMILESCO[Si](C)(CCCC#N)CCCC#N
InChIInChI=1S/C10H18N2OSi/c1-13-14(2,9-5-3-7-11)10-6-4-8-12/h3-6,9-10H2,1-2H3
InChIKeyNTAVRZJMOJADEZ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.82
Rot. Bonds7

About 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile

4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile (PubChem CID 170685707) has the molecular formula C10H18N2OSi and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile.

Molecular Properties

Compound Name4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
PubChem CID170685707
Molecular FormulaC10H18N2OSi
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
SMILESCO[Si](C)(CCCC#N)CCCC#N
InChIInChI=1S/C10H18N2OSi/c1-13-14(2,9-5-3-7-11)10-6-4-8-12/h3-6,9-10H2,1-2H3
InChIKeyNTAVRZJMOJADEZ-UHFFFAOYSA-N
XLogP2.82
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[dichloro(methyl)silyl]butanenitrile
CID 14479
5-[chloro(dimethyl)silyl]pentanenitrile
CID 87524808
4-[hydroxy-di(propan-2-yl)silyl]butanenitrile
CID 143688849
4-[chloro(dimethyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane;oxocalcium
CID 165097101
4-[[bis(3-cyanopropyl)-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]butanenitrile;methane
CID 157111577
4-[butyl(dichloro)silyl]butanenitrile
CID 11806313
4-(chloro-ethoxy-ethylsilyl)butanenitrile
CID 140625068
4-[dimethyl-(4-methylcyclohexyl)oxysilyl]butanenitrile
CID 91697253
henicosanedinitrile
CID 87345062
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
CID 87442865
4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
CID 10571600
3-[difluoro(methyl)silyl]propanenitrile
CID 22079074

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile?
The IUPAC name of 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile (CID 170685707) is 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile.
What is the SMILES notation for 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile?
The canonical SMILES for 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile is CO[Si](C)(CCCC#N)CCCC#N.
What is the InChIKey of 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile?
The InChIKey is NTAVRZJMOJADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OSi/c1-13-14(2,9-5-3-7-11)10-6-4-8-12/h3-6,9-10H2,1-2H3.
What are the key properties of 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile?
4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile has a molecular weight of 210.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile is sourced from PubChem (CID 170685707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).