(E)-non-2-en-4-yne

C9H14 — CID 5367387

IUPAC(E)-non-2-en-4-yne
SMILESC/C=C/C#CCCCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,6,8H2,1-2H3/b5-3+
InChIKeyVSLJPTWFNWRVBG-HWKANZROSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds2

About (E)-non-2-en-4-yne

(E)-non-2-en-4-yne (PubChem CID 5367387) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (E)-non-2-en-4-yne.

Molecular Properties

Compound Name(E)-non-2-en-4-yne
PubChem CID5367387
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(E)-non-2-en-4-yne
SMILESC/C=C/C#CCCCC
InChIInChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,6,8H2,1-2H3/b5-3+
InChIKeyVSLJPTWFNWRVBG-HWKANZROSA-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dec-2-en-4-yne
CID 54142868
(Z)-oct-2-en-4-yne
CID 5367022
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
(Z)-heptadec-8-en-6-yne
CID 101260338
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
1-iodonon-1-en-3-yne
CID 71425479
(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
dodec-5-en-7-yn-4-ol
CID 71331023
(E)-1,1-diethoxynon-2-en-4-yne
CID 11127544

Frequently Asked Questions

What is the IUPAC name of (E)-non-2-en-4-yne?
The IUPAC name of (E)-non-2-en-4-yne (CID 5367387) is (E)-non-2-en-4-yne.
What is the SMILES notation for (E)-non-2-en-4-yne?
The canonical SMILES for (E)-non-2-en-4-yne is C/C=C/C#CCCCC.
What is the InChIKey of (E)-non-2-en-4-yne?
The InChIKey is VSLJPTWFNWRVBG-HWKANZROSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-7-9-8-6-4-2/h3,5H,4,6,8H2,1-2H3/b5-3+.
What are the key properties of (E)-non-2-en-4-yne?
(E)-non-2-en-4-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 (E)-non-2-en-4-yne is sourced from PubChem (CID 5367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).