10-isocyanononadeca-1,18-diene

C20H35N — CID 155605584

IUPAC10-isocyanononadeca-1,18-diene
SMILES[C-]#[N+]C(CCCCCCCC=C)CCCCCCCC=C
InChIInChI=1S/C20H35N/c1-4-6-8-10-12-14-16-18-20(21-3)19-17-15-13-11-9-7-5-2/h4-5,20H,1-2,6-19H2
InChIKeyUHKOFJQJDKVVDN-UHFFFAOYSA-N
MW289.51 g/mol
LogP7.11
Rot. Bonds16

About 10-isocyanononadeca-1,18-diene

10-isocyanononadeca-1,18-diene (PubChem CID 155605584) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 10-isocyanononadeca-1,18-diene.

Molecular Properties

Compound Name10-isocyanononadeca-1,18-diene
PubChem CID155605584
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name10-isocyanononadeca-1,18-diene
SMILES[C-]#[N+]C(CCCCCCCC=C)CCCCCCCC=C
InChIInChI=1S/C20H35N/c1-4-6-8-10-12-14-16-18-20(21-3)19-17-15-13-11-9-7-5-2/h4-5,20H,1-2,6-19H2
InChIKeyUHKOFJQJDKVVDN-UHFFFAOYSA-N
XLogP7.11
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
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 10-isocyanononadeca-1,18-diene?
The IUPAC name of 10-isocyanononadeca-1,18-diene (CID 155605584) is 10-isocyanononadeca-1,18-diene.
What is the SMILES notation for 10-isocyanononadeca-1,18-diene?
The canonical SMILES for 10-isocyanononadeca-1,18-diene is [C-]#[N+]C(CCCCCCCC=C)CCCCCCCC=C.
What is the InChIKey of 10-isocyanononadeca-1,18-diene?
The InChIKey is UHKOFJQJDKVVDN-UHFFFAOYSA-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/h4-5,20H,1-2,6-19H2.
What are the key properties of 10-isocyanononadeca-1,18-diene?
10-isocyanononadeca-1,18-diene has a molecular weight of 289.51 g/mol, XLogP of 7.11, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-isocyanononadeca-1,18-diene is sourced from PubChem (CID 155605584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).