3-methylidenehept-1-en-6-yne

C8H10 — CID 123417671

IUPAC3-methylidenehept-1-en-6-yne
SMILESC#CCCC(=C)C=C
InChIInChI=1S/C8H10/c1-4-6-7-8(3)5-2/h1,5H,2-3,6-7H2
InChIKeyYASZJFWKYYGZSV-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.14
Rot. Bonds3

About 3-methylidenehept-1-en-6-yne

3-methylidenehept-1-en-6-yne (PubChem CID 123417671) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 3-methylidenehept-1-en-6-yne.

Molecular Properties

Compound Name3-methylidenehept-1-en-6-yne
PubChem CID123417671
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name3-methylidenehept-1-en-6-yne
SMILESC#CCCC(=C)C=C
InChIInChI=1S/C8H10/c1-4-6-7-8(3)5-2/h1,5H,2-3,6-7H2
InChIKeyYASZJFWKYYGZSV-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.14
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-Octen-7-yne
CID 524956
Dec-9-en-1,3-diyne
CID 56837277
Undec-1-en-5,10-diyne
CID 15778165
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164
3-Methylidenehex-1-en-5-yne
CID 13070288
2-Methylnona-1,8-dien-3-yne
CID 10986278
8-Deuteriooct-1-en-7-yne
CID 12418803
6-Deuteriooct-1-en-7-yne
CID 12418804
3-Methylideneoct-1-en-7-yne
CID 13757696
Dodec-11-ene-1,6-diyne
CID 102384436
4-(2-Propinyl)-1,3,6-heptatrien
CID 129649891
4-Methylidenehepta-1,2-dien-6-yne
CID 13838138

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehept-1-en-6-yne?
The IUPAC name of 3-methylidenehept-1-en-6-yne (CID 123417671) is 3-methylidenehept-1-en-6-yne.
What is the SMILES notation for 3-methylidenehept-1-en-6-yne?
The canonical SMILES for 3-methylidenehept-1-en-6-yne is C#CCCC(=C)C=C.
What is the InChIKey of 3-methylidenehept-1-en-6-yne?
The InChIKey is YASZJFWKYYGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-4-6-7-8(3)5-2/h1,5H,2-3,6-7H2.
What are the key properties of 3-methylidenehept-1-en-6-yne?
3-methylidenehept-1-en-6-yne has a molecular weight of 106.17 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehept-1-en-6-yne is sourced from PubChem (CID 123417671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).