4-[hydroxy-di(propan-2-yl)silyl]butanenitrile

C10H21NOSi — CID 143688849

IUPAC4-[hydroxy-di(propan-2-yl)silyl]butanenitrile
SMILESCC(C)[Si](O)(CCCC#N)C(C)C
InChIInChI=1S/C10H21NOSi/c1-9(2)13(12,10(3)4)8-6-5-7-11/h9-10,12H,5-6,8H2,1-4H3
InChIKeyPAAZDMRPDUGFBZ-UHFFFAOYSA-N
MW199.37 g/mol
LogP3.05
Rot. Bonds5

About 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile

4-[hydroxy-di(propan-2-yl)silyl]butanenitrile (PubChem CID 143688849) has the molecular formula C10H21NOSi and a molecular weight of 199.37 g/mol. Its IUPAC name is 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile.

Molecular Properties

Compound Name4-[hydroxy-di(propan-2-yl)silyl]butanenitrile
PubChem CID143688849
Molecular FormulaC10H21NOSi
Molecular Weight199.37 g/mol
Exact Mass199.14
IUPAC Name4-[hydroxy-di(propan-2-yl)silyl]butanenitrile
SMILESCC(C)[Si](O)(CCCC#N)C(C)C
InChIInChI=1S/C10H21NOSi/c1-9(2)13(12,10(3)4)8-6-5-7-11/h9-10,12H,5-6,8H2,1-4H3
InChIKeyPAAZDMRPDUGFBZ-UHFFFAOYSA-N
XLogP3.05
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-cyanopropyl-methoxy-methylsilyl)butanenitrile
CID 170685707
4-[butyl(dichloro)silyl]butanenitrile
CID 11806313
2-methyl-4-trichlorosilylbutanenitrile;4-trichlorosilylbutanenitrile
CID 175427955
henicosanedinitrile
CID 87345062
ethane;5-hydroxypentanenitrile
CID 144859936
6-methylheptanenitrile
CID 22036153
4-[chloro(dimethyl)silyl]butanenitrile;4-[difluoro(methyl)silyl]butanenitrile;methane;oxocalcium
CID 165097101
(E)-7-methyloct-5-enenitrile
CID 124660499
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
4-(3-cyanopropyldiazenyl)butanenitrile;methanol
CID 87250010

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?
The IUPAC name of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile (CID 143688849) is 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile.
What is the SMILES notation for 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?
The canonical SMILES for 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile is CC(C)[Si](O)(CCCC#N)C(C)C.
What is the InChIKey of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?
The InChIKey is PAAZDMRPDUGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOSi/c1-9(2)13(12,10(3)4)8-6-5-7-11/h9-10,12H,5-6,8H2,1-4H3.
What are the key properties of 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile?
4-[hydroxy-di(propan-2-yl)silyl]butanenitrile has a molecular weight of 199.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-di(propan-2-yl)silyl]butanenitrile is sourced from PubChem (CID 143688849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).