non-2-en-6-yne

C9H14 — CID 173362108

IUPACnon-2-en-6-yne
SMILESCC=CCCC#CCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,7,9H2,1-2H3
InChIKeyYCBKLZDBLHRFJN-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds2

About non-2-en-6-yne

non-2-en-6-yne (PubChem CID 173362108) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is non-2-en-6-yne.

Molecular Properties

Compound Namenon-2-en-6-yne
PubChem CID173362108
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namenon-2-en-6-yne
SMILESCC=CCCC#CCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,7,9H2,1-2H3
InChIKeyYCBKLZDBLHRFJN-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-hept-5-en-1-yne
CID 14688757
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
non-1-en-6-yne
CID 56979748
ethane;(E)-hex-2-ene
CID 142405633
dodec-2-en-5,10-diyne
CID 123631331
butane;ethane;(E)-hex-2-ene
CID 143010099
(6Z)-deca-2,6-diene
CID 159397578
1-fluorohex-3-yne
CID 54352510
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428

Frequently Asked Questions

What is the IUPAC name of non-2-en-6-yne?
The IUPAC name of non-2-en-6-yne (CID 173362108) is non-2-en-6-yne.
What is the SMILES notation for non-2-en-6-yne?
The canonical SMILES for non-2-en-6-yne is CC=CCCC#CCC.
What is the InChIKey of non-2-en-6-yne?
The InChIKey is YCBKLZDBLHRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,7,9H2,1-2H3.
What are the key properties of non-2-en-6-yne?
non-2-en-6-yne has a molecular weight of 122.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-en-6-yne is sourced from PubChem (CID 173362108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).