(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile

C10H13N — CID 130257091

IUPAC(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile
SMILESC=C/C=C\C=C(\CC)CC#N
InChIInChI=1S/C10H13N/c1-3-5-6-7-10(4-2)8-9-11/h3,5-7H,1,4,8H2,2H3/b6-5-,10-7-
InChIKeyJLYQAIDSQNMUNO-ICZHLNMZSA-N
MW147.22 g/mol
LogP2.98
Rot. Bonds4

About (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile

(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile (PubChem CID 130257091) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile.

Molecular Properties

Compound Name(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile
PubChem CID130257091
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile
SMILESC=C/C=C\C=C(\CC)CC#N
InChIInChI=1S/C10H13N/c1-3-5-6-7-10(4-2)8-9-11/h3,5-7H,1,4,8H2,2H3/b6-5-,10-7-
InChIKeyJLYQAIDSQNMUNO-ICZHLNMZSA-N
XLogP2.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile?
The IUPAC name of (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile (CID 130257091) is (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile.
What is the SMILES notation for (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile?
The canonical SMILES for (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile is C=C/C=C\C=C(\CC)CC#N.
What is the InChIKey of (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile?
The InChIKey is JLYQAIDSQNMUNO-ICZHLNMZSA-N. The full InChI is InChI=1S/C10H13N/c1-3-5-6-7-10(4-2)8-9-11/h3,5-7H,1,4,8H2,2H3/b6-5-,10-7-.
What are the key properties of (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile?
(3Z,5Z)-3-ethylocta-3,5,7-trienenitrile has a molecular weight of 147.22 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethylocta-3,5,7-trienenitrile is sourced from PubChem (CID 130257091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).