non-1-en-6-yne

C9H14 — CID 56979748

IUPACnon-1-en-6-yne
SMILESC=CCCCC#CCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3H,1,4-5,7,9H2,2H3
InChIKeyMWIOMNUTLCVEGI-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds3

About non-1-en-6-yne

non-1-en-6-yne (PubChem CID 56979748) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is non-1-en-6-yne.

Molecular Properties

Compound Namenon-1-en-6-yne
PubChem CID56979748
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namenon-1-en-6-yne
SMILESC=CCCCC#CCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3H,1,4-5,7,9H2,2H3
InChIKeyMWIOMNUTLCVEGI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne
CID 11048940
5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
CID 161104978
methane;bis(oct-3-yne)
CID 159540057
methyl tetradec-13-en-2,8-diynoate
CID 10944315
hexacos-3-yne
CID 22223851
hexadeca-3,9-diyne
CID 54568863
hex-1-ene;zinc
CID 174554611
hex-3-ynyl-oxo-pent-4-enylimino-phenyl-λ6-sulfane
CID 135015960
N-oct-2-ynylnona-1,8-dien-5-amine
CID 11402374
non-2-en-6-yne
CID 173362108
triethyl(pent-4-enyl)azanium
CID 87500309
acetonitrile;hex-1-ene
CID 18663777

Frequently Asked Questions

What is the IUPAC name of non-1-en-6-yne?
The IUPAC name of non-1-en-6-yne (CID 56979748) is non-1-en-6-yne.
What is the SMILES notation for non-1-en-6-yne?
The canonical SMILES for non-1-en-6-yne is C=CCCCC#CCC.
What is the InChIKey of non-1-en-6-yne?
The InChIKey is MWIOMNUTLCVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3H,1,4-5,7,9H2,2H3.
What are the key properties of non-1-en-6-yne?
non-1-en-6-yne has a molecular weight of 122.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-en-6-yne is sourced from PubChem (CID 56979748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).