(Z)-1-isocyanooctadec-9-ene

C19H35N — CID 135049609

IUPAC(Z)-1-isocyanooctadec-9-ene
SMILES[C-]#[N+]CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C19H35N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1H3/b11-10-
InChIKeyXGMQMOOQAXUGPJ-KHPPLWFESA-N
MW277.50 g/mol
LogP6.94
Rot. Bonds15

About (Z)-1-isocyanooctadec-9-ene

(Z)-1-isocyanooctadec-9-ene (PubChem CID 135049609) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (Z)-1-isocyanooctadec-9-ene.

Molecular Properties

Compound Name(Z)-1-isocyanooctadec-9-ene
PubChem CID135049609
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(Z)-1-isocyanooctadec-9-ene
SMILES[C-]#[N+]CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C19H35N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1H3/b11-10-
InChIKeyXGMQMOOQAXUGPJ-KHPPLWFESA-N
XLogP6.94
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.94
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 (Z)-1-isocyanooctadec-9-ene?
The IUPAC name of (Z)-1-isocyanooctadec-9-ene (CID 135049609) is (Z)-1-isocyanooctadec-9-ene.
What is the SMILES notation for (Z)-1-isocyanooctadec-9-ene?
The canonical SMILES for (Z)-1-isocyanooctadec-9-ene is [C-]#[N+]CCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-1-isocyanooctadec-9-ene?
The InChIKey is XGMQMOOQAXUGPJ-KHPPLWFESA-N. The full InChI is InChI=1S/C19H35N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h10-11H,3-9,12-19H2,1H3/b11-10-.
What are the key properties of (Z)-1-isocyanooctadec-9-ene?
(Z)-1-isocyanooctadec-9-ene has a molecular weight of 277.50 g/mol, XLogP of 6.94, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-isocyanooctadec-9-ene is sourced from PubChem (CID 135049609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).