formonitrile;octane

C9H19N — CID 146309185

IUPACformonitrile;octane
SMILESC#N.CCCCCCCC
InChIInChI=1S/C8H18.CHN/c1-3-5-7-8-6-4-2;1-2/h3-8H2,1-2H3;1H
InChIKeyRROGFLXNCQNHLQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.51
Rot. Bonds5

About formonitrile;octane

formonitrile;octane (PubChem CID 146309185) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is formonitrile;octane.

Molecular Properties

Compound Nameformonitrile;octane
PubChem CID146309185
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameformonitrile;octane
SMILESC#N.CCCCCCCC
InChIInChI=1S/C8H18.CHN/c1-3-5-7-8-6-4-2;1-2/h3-8H2,1-2H3;1H
InChIKeyRROGFLXNCQNHLQ-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;heptane;hexane
CID 173326274
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
henoctacontane
CID 22086342
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of formonitrile;octane?
The IUPAC name of formonitrile;octane (CID 146309185) is formonitrile;octane.
What is the SMILES notation for formonitrile;octane?
The canonical SMILES for formonitrile;octane is C#N.CCCCCCCC.
What is the InChIKey of formonitrile;octane?
The InChIKey is RROGFLXNCQNHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.CHN/c1-3-5-7-8-6-4-2;1-2/h3-8H2,1-2H3;1H.
What are the key properties of formonitrile;octane?
formonitrile;octane has a molecular weight of 141.26 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;octane is sourced from PubChem (CID 146309185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).