(Z)-2-hexylbut-2-enedinitrile

C10H14N2 — CID 101490573

IUPAC(Z)-2-hexylbut-2-enedinitrile
SMILESCCCCCC/C(C#N)=C/C#N
InChIInChI=1S/C10H14N2/c1-2-3-4-5-6-10(9-12)7-8-11/h7H,2-6H2,1H3/b10-7-
InChIKeyFCOHPFHRFKGGAS-YFHOEESVSA-N
MW162.24 g/mol
LogP2.93
Rot. Bonds5

About (Z)-2-hexylbut-2-enedinitrile

(Z)-2-hexylbut-2-enedinitrile (PubChem CID 101490573) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (Z)-2-hexylbut-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-hexylbut-2-enedinitrile
PubChem CID101490573
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(Z)-2-hexylbut-2-enedinitrile
SMILESCCCCCC/C(C#N)=C/C#N
InChIInChI=1S/C10H14N2/c1-2-3-4-5-6-10(9-12)7-8-11/h7H,2-6H2,1H3/b10-7-
InChIKeyFCOHPFHRFKGGAS-YFHOEESVSA-N
XLogP2.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hexylbut-2-enedinitrile?
The IUPAC name of (Z)-2-hexylbut-2-enedinitrile (CID 101490573) is (Z)-2-hexylbut-2-enedinitrile.
What is the SMILES notation for (Z)-2-hexylbut-2-enedinitrile?
The canonical SMILES for (Z)-2-hexylbut-2-enedinitrile is CCCCCC/C(C#N)=C/C#N.
What is the InChIKey of (Z)-2-hexylbut-2-enedinitrile?
The InChIKey is FCOHPFHRFKGGAS-YFHOEESVSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-4-5-6-10(9-12)7-8-11/h7H,2-6H2,1H3/b10-7-.
What are the key properties of (Z)-2-hexylbut-2-enedinitrile?
(Z)-2-hexylbut-2-enedinitrile has a molecular weight of 162.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hexylbut-2-enedinitrile is sourced from PubChem (CID 101490573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).