1-silyloxycyclohexane-1-carbonitrile

C7H13NOSi — CID 154461670

IUPAC1-silyloxycyclohexane-1-carbonitrile
SMILESN#CC1(O[SiH3])CCCCC1
InChIInChI=1S/C7H13NOSi/c8-6-7(9-10)4-2-1-3-5-7/h1-5H2,10H3
InChIKeyDKQYDBADIJBDHD-UHFFFAOYSA-N
MW155.27 g/mol
LogP0.51
Rot. Bonds1

About 1-silyloxycyclohexane-1-carbonitrile

1-silyloxycyclohexane-1-carbonitrile (PubChem CID 154461670) has the molecular formula C7H13NOSi and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-silyloxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-silyloxycyclohexane-1-carbonitrile
PubChem CID154461670
Molecular FormulaC7H13NOSi
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-silyloxycyclohexane-1-carbonitrile
SMILESN#CC1(O[SiH3])CCCCC1
InChIInChI=1S/C7H13NOSi/c8-6-7(9-10)4-2-1-3-5-7/h1-5H2,10H3
InChIKeyDKQYDBADIJBDHD-UHFFFAOYSA-N
XLogP0.51
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxycycloheptane-1-carbonitrile
CID 15495961
carbonic acid;bis(1-hydroperoxycyclohexane-1-carbonitrile)
CID 173416775
1-(3-hydroxypropoxy)cyclooctane-1-carbonitrile
CID 103376575
1-bromocycloheptane-1-carbonitrile
CID 83086102
1-bromocyclooctane-1-carbonitrile
CID 83086716
1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
1-hydroxycyclohexane-1-carbonitrile;methane
CID 164543008
(1-cyanocyclopentyl)cyanamide
CID 134266824
4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
CID 65094927
1-(4-methoxybutyl)cyclooctane-1-carbonitrile
CID 104650536
(1-cyanocyclobutyl) cyclopentanecarboxylate
CID 123468975
(1-cyanocyclohexyl) 2-phenylsulfanylacetate
CID 71063207

Frequently Asked Questions

What is the IUPAC name of 1-silyloxycyclohexane-1-carbonitrile?
The IUPAC name of 1-silyloxycyclohexane-1-carbonitrile (CID 154461670) is 1-silyloxycyclohexane-1-carbonitrile.
What is the SMILES notation for 1-silyloxycyclohexane-1-carbonitrile?
The canonical SMILES for 1-silyloxycyclohexane-1-carbonitrile is N#CC1(O[SiH3])CCCCC1.
What is the InChIKey of 1-silyloxycyclohexane-1-carbonitrile?
The InChIKey is DKQYDBADIJBDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOSi/c8-6-7(9-10)4-2-1-3-5-7/h1-5H2,10H3.
What are the key properties of 1-silyloxycyclohexane-1-carbonitrile?
1-silyloxycyclohexane-1-carbonitrile has a molecular weight of 155.27 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silyloxycyclohexane-1-carbonitrile is sourced from PubChem (CID 154461670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).