(6Z,13Z)-10-isocyanononadeca-6,13-diene

C20H35N — CID 123389390

IUPAC(6Z,13Z)-10-isocyanononadeca-6,13-diene
SMILES[C-]#[N+]C(CC/C=C\CCCCC)CC/C=C\CCCCC
InChIInChI=1S/C20H35N/c1-4-6-8-10-12-14-16-18-20(21-3)19-17-15-13-11-9-7-5-2/h12-15,20H,4-11,16-19H2,1-2H3/b14-12-,15-13-
InChIKeyDNSZCZQXGQCOGD-DZDAAMPGSA-N
MW289.51 g/mol
LogP7.11
Rot. Bonds14

About (6Z,13Z)-10-isocyanononadeca-6,13-diene

(6Z,13Z)-10-isocyanononadeca-6,13-diene (PubChem CID 123389390) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (6Z,13Z)-10-isocyanononadeca-6,13-diene.

Molecular Properties

Compound Name(6Z,13Z)-10-isocyanononadeca-6,13-diene
PubChem CID123389390
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(6Z,13Z)-10-isocyanononadeca-6,13-diene
SMILES[C-]#[N+]C(CC/C=C\CCCCC)CC/C=C\CCCCC
InChIInChI=1S/C20H35N/c1-4-6-8-10-12-14-16-18-20(21-3)19-17-15-13-11-9-7-5-2/h12-15,20H,4-11,16-19H2,1-2H3/b14-12-,15-13-
InChIKeyDNSZCZQXGQCOGD-DZDAAMPGSA-N
XLogP7.11
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 57.11
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,13Z)-10-isocyanononadeca-6,13-diene?
The IUPAC name of (6Z,13Z)-10-isocyanononadeca-6,13-diene (CID 123389390) is (6Z,13Z)-10-isocyanononadeca-6,13-diene.
What is the SMILES notation for (6Z,13Z)-10-isocyanononadeca-6,13-diene?
The canonical SMILES for (6Z,13Z)-10-isocyanononadeca-6,13-diene is [C-]#[N+]C(CC/C=C\CCCCC)CC/C=C\CCCCC.
What is the InChIKey of (6Z,13Z)-10-isocyanononadeca-6,13-diene?
The InChIKey is DNSZCZQXGQCOGD-DZDAAMPGSA-N. The full InChI is InChI=1S/C20H35N/c1-4-6-8-10-12-14-16-18-20(21-3)19-17-15-13-11-9-7-5-2/h12-15,20H,4-11,16-19H2,1-2H3/b14-12-,15-13-.
What are the key properties of (6Z,13Z)-10-isocyanononadeca-6,13-diene?
(6Z,13Z)-10-isocyanononadeca-6,13-diene has a molecular weight of 289.51 g/mol, XLogP of 7.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,13Z)-10-isocyanononadeca-6,13-diene is sourced from PubChem (CID 123389390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).