6-ethylnon-2-ene;isocyanic acid

C13H24N2O2 — CID 173332593

IUPAC6-ethylnon-2-ene;isocyanic acid
SMILESCC=CCCC(CC)CCC.N=C=O.N=C=O
InChIInChI=1S/C11H22.2CHNO/c1-4-7-8-10-11(6-3)9-5-2;2*2-1-3/h4,7,11H,5-6,8-10H2,1-3H3;2*2H
InChIKeyBIJQBKGCOJCTQB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.97
Rot. Bonds6

About 6-ethylnon-2-ene;isocyanic acid

6-ethylnon-2-ene;isocyanic acid (PubChem CID 173332593) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-ethylnon-2-ene;isocyanic acid.

Molecular Properties

Compound Name6-ethylnon-2-ene;isocyanic acid
PubChem CID173332593
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-ethylnon-2-ene;isocyanic acid
SMILESCC=CCCC(CC)CCC.N=C=O.N=C=O
InChIInChI=1S/C11H22.2CHNO/c1-4-7-8-10-11(6-3)9-5-2;2*2-1-3/h4,7,11H,5-6,8-10H2,1-3H3;2*2H
InChIKeyBIJQBKGCOJCTQB-UHFFFAOYSA-N
XLogP3.97
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethyloct-2-ene
CID 54276882
6-methylnon-2-ene
CID 21361194
15,19-diethyltetracos-2-ene
CID 173194589
4-ethylheptane;methane
CID 143165373
2-ethylhept-5-enal
CID 159875666
2-ethylhept-5-enenitrile
CID 123154860
tetrakis(pent-3-enyl)phosphanium
CID 154314281
(6Z)-deca-2,6-diene
CID 159397578
hept-5-en-2-amine
CID 72784707
11-ethyltetradec-4-ene
CID 123216279
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721

Frequently Asked Questions

What is the IUPAC name of 6-ethylnon-2-ene;isocyanic acid?
The IUPAC name of 6-ethylnon-2-ene;isocyanic acid (CID 173332593) is 6-ethylnon-2-ene;isocyanic acid.
What is the SMILES notation for 6-ethylnon-2-ene;isocyanic acid?
The canonical SMILES for 6-ethylnon-2-ene;isocyanic acid is CC=CCCC(CC)CCC.N=C=O.N=C=O.
What is the InChIKey of 6-ethylnon-2-ene;isocyanic acid?
The InChIKey is BIJQBKGCOJCTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.2CHNO/c1-4-7-8-10-11(6-3)9-5-2;2*2-1-3/h4,7,11H,5-6,8-10H2,1-3H3;2*2H.
What are the key properties of 6-ethylnon-2-ene;isocyanic acid?
6-ethylnon-2-ene;isocyanic acid has a molecular weight of 240.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylnon-2-ene;isocyanic acid is sourced from PubChem (CID 173332593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).