ethylcyclohexane;formonitrile

C9H17N — CID 174889190

IUPACethylcyclohexane;formonitrile
SMILESC#N.CCC1CCCCC1
InChIInChI=1S/C8H16.CHN/c1-2-8-6-4-3-5-7-8;1-2/h8H,2-7H2,1H3;1H
InChIKeyVAIQLCQBLCTDPX-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.12
Rot. Bonds1

About ethylcyclohexane;formonitrile

ethylcyclohexane;formonitrile (PubChem CID 174889190) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethylcyclohexane;formonitrile.

Molecular Properties

Compound Nameethylcyclohexane;formonitrile
PubChem CID174889190
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethylcyclohexane;formonitrile
SMILESC#N.CCC1CCCCC1
InChIInChI=1S/C8H16.CHN/c1-2-8-6-4-3-5-7-8;1-2/h8H,2-7H2,1H3;1H
InChIKeyVAIQLCQBLCTDPX-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethylcyclooctane;fluoromethane
CID 174962953
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcyclopentane;methanamine
CID 142068671
magnesium;carbanide;bis(ethylcyclopentane)
CID 121233150
carbanide;bis(ethylcyclopentane);tungsten dihydride
CID 164887185
cyclopropane;ethylcyclobutane;propane
CID 142456817
formonitrile;propylcyclohexane
CID 174902049
dimethoxymethane;ethylcyclohexane
CID 159138844

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;formonitrile?
The IUPAC name of ethylcyclohexane;formonitrile (CID 174889190) is ethylcyclohexane;formonitrile.
What is the SMILES notation for ethylcyclohexane;formonitrile?
The canonical SMILES for ethylcyclohexane;formonitrile is C#N.CCC1CCCCC1.
What is the InChIKey of ethylcyclohexane;formonitrile?
The InChIKey is VAIQLCQBLCTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.CHN/c1-2-8-6-4-3-5-7-8;1-2/h8H,2-7H2,1H3;1H.
What are the key properties of ethylcyclohexane;formonitrile?
ethylcyclohexane;formonitrile has a molecular weight of 139.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;formonitrile is sourced from PubChem (CID 174889190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).