(6Z,9Z)-18-isocyanooctadeca-6,9-diene

C19H33N — CID 58559549

IUPAC(6Z,9Z)-18-isocyanooctadeca-6,9-diene
SMILES[C-]#[N+]CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C19H33N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h7-8,10-11H,3-6,9,12-19H2,1H3/b8-7-,11-10-
InChIKeyZNCXIYHFIWWHSM-NQLNTKRDSA-N
MW275.48 g/mol
LogP6.72
Rot. Bonds14

About (6Z,9Z)-18-isocyanooctadeca-6,9-diene

(6Z,9Z)-18-isocyanooctadeca-6,9-diene (PubChem CID 58559549) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (6Z,9Z)-18-isocyanooctadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-18-isocyanooctadeca-6,9-diene
PubChem CID58559549
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(6Z,9Z)-18-isocyanooctadeca-6,9-diene
SMILES[C-]#[N+]CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C19H33N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h7-8,10-11H,3-6,9,12-19H2,1H3/b8-7-,11-10-
InChIKeyZNCXIYHFIWWHSM-NQLNTKRDSA-N
XLogP6.72
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z)-18-isocyanooctadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-18-isocyanooctadeca-6,9-diene (CID 58559549) is (6Z,9Z)-18-isocyanooctadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-18-isocyanooctadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-18-isocyanooctadeca-6,9-diene is [C-]#[N+]CCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (6Z,9Z)-18-isocyanooctadeca-6,9-diene?
The InChIKey is ZNCXIYHFIWWHSM-NQLNTKRDSA-N. The full InChI is InChI=1S/C19H33N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h7-8,10-11H,3-6,9,12-19H2,1H3/b8-7-,11-10-.
What are the key properties of (6Z,9Z)-18-isocyanooctadeca-6,9-diene?
(6Z,9Z)-18-isocyanooctadeca-6,9-diene has a molecular weight of 275.48 g/mol, XLogP of 6.72, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-18-isocyanooctadeca-6,9-diene is sourced from PubChem (CID 58559549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).