3-methylidenehex-1-en-5-yne

C7H8 — CID 13070288

IUPAC3-methylidenehex-1-en-5-yne
SMILESC#CCC(=C)C=C
InChIInChI=1S/C7H8/c1-4-6-7(3)5-2/h1,5H,2-3,6H2
InChIKeyDAQYZMQSSJXJPB-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.75
Rot. Bonds2

About 3-methylidenehex-1-en-5-yne

3-methylidenehex-1-en-5-yne (PubChem CID 13070288) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is 3-methylidenehex-1-en-5-yne.

Molecular Properties

Compound Name3-methylidenehex-1-en-5-yne
PubChem CID13070288
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name3-methylidenehex-1-en-5-yne
SMILESC#CCC(=C)C=C
InChIInChI=1S/C7H8/c1-4-6-7(3)5-2/h1,5H,2-3,6H2
InChIKeyDAQYZMQSSJXJPB-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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Hexen-5-yne
CID 518966
3-Methylene-1-penten-4-yne
CID 12740771
3-Methylideneoct-1-en-7-yne
CID 13757696
4-Methylidenehepta-1,2-dien-6-yne
CID 13838138
(3E)-3-ethynyl-1,3-pentadiene
CID 13838147
3-Ethynylpenta-1,3-diene
CID 57064571
5-Methylidenehept-1-en-6-yne
CID 91189905
3-Methylidenehex-1-en-4-yne
CID 91240511
4-Methylidenehex-1-en-5-yne
CID 91573287
3-Ethynylhexa-1,3,5-triene
CID 123146303
3-Methylidenehept-1-en-6-yne
CID 123417671
4-Methylideneocta-5,6-dien-1-yne
CID 123735846

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehex-1-en-5-yne?
The IUPAC name of 3-methylidenehex-1-en-5-yne (CID 13070288) is 3-methylidenehex-1-en-5-yne.
What is the SMILES notation for 3-methylidenehex-1-en-5-yne?
The canonical SMILES for 3-methylidenehex-1-en-5-yne is C#CCC(=C)C=C.
What is the InChIKey of 3-methylidenehex-1-en-5-yne?
The InChIKey is DAQYZMQSSJXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-4-6-7(3)5-2/h1,5H,2-3,6H2.
What are the key properties of 3-methylidenehex-1-en-5-yne?
3-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 3-methylidenehex-1-en-5-yne is sourced from PubChem (CID 13070288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).