4-methylidenehex-1-en-5-yne

C7H8 — CID 91573287

IUPAC4-methylidenehex-1-en-5-yne
SMILESC#CC(=C)CC=C
InChIInChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4H,1,3,6H2
InChIKeyZXTFWFFITAECCX-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.75
Rot. Bonds2

About 4-methylidenehex-1-en-5-yne

4-methylidenehex-1-en-5-yne (PubChem CID 91573287) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is 4-methylidenehex-1-en-5-yne.

Molecular Properties

Compound Name4-methylidenehex-1-en-5-yne
PubChem CID91573287
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name4-methylidenehex-1-en-5-yne
SMILESC#CC(=C)CC=C
InChIInChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4H,1,3,6H2
InChIKeyZXTFWFFITAECCX-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Hexen-5-yne
CID 518966
Hept-1-en-6-yne
CID 556172
3-Methylene-1-penten-4-yne
CID 12740771
3-Methylidenehex-1-en-5-yne
CID 13070288
3-Methylideneoct-1-en-7-yne
CID 13757696
[(1E)-2-ethynylpenta-1,4-dienyl]-bis(prop-2-enyl)borane
CID 134890537
4-Methylidenehepta-1,2-dien-6-yne
CID 13838138
Oct-7-en-1,3-diyne
CID 19438453
Non-8-en-1,4-diyne
CID 53937850
3-Ethynylpenta-1,4-diene
CID 54236240
5-Methylidenehept-1-en-6-yne
CID 91189905
3-Methylidenehept-1-en-6-yne
CID 123417671

Frequently Asked Questions

What is the IUPAC name of 4-methylidenehex-1-en-5-yne?
The IUPAC name of 4-methylidenehex-1-en-5-yne (CID 91573287) is 4-methylidenehex-1-en-5-yne.
What is the SMILES notation for 4-methylidenehex-1-en-5-yne?
The canonical SMILES for 4-methylidenehex-1-en-5-yne is C#CC(=C)CC=C.
What is the InChIKey of 4-methylidenehex-1-en-5-yne?
The InChIKey is ZXTFWFFITAECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4H,1,3,6H2.
What are the key properties of 4-methylidenehex-1-en-5-yne?
4-methylidenehex-1-en-5-yne has a molecular weight of 92.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehex-1-en-5-yne is sourced from PubChem (CID 91573287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).