4-methylidenehept-2-yne

C8H12 — CID 123468308

IUPAC4-methylidenehept-2-yne
SMILESC=C(C#CC)CCC
InChIInChI=1S/C8H12/c1-4-6-8(3)7-5-2/h3-4,6H2,1-2H3
InChIKeyLGINTEXRHVAOAS-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.37
Rot. Bonds2

About 4-methylidenehept-2-yne

4-methylidenehept-2-yne (PubChem CID 123468308) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 4-methylidenehept-2-yne.

Molecular Properties

Compound Name4-methylidenehept-2-yne
PubChem CID123468308
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name4-methylidenehept-2-yne
SMILESC=C(C#CC)CCC
InChIInChI=1S/C8H12/c1-4-6-8(3)7-5-2/h3-4,6H2,1-2H3
InChIKeyLGINTEXRHVAOAS-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-octen-3-yne
CID 140254
7-Methylene-undec-5-yne
CID 10866683
4-Methylidenehepta-1,6-diyne
CID 13838137
5-Methylene-hept-3-yne
CID 13657299
6-Methylidenenon-4-yne
CID 15584278
2-Methylhept-1-en-6-yne
CID 10396805
3-Methylideneoct-1-yne
CID 12939487
2-Methylhex-1-en-5-yne
CID 13976498
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164
5-Methyl-3-methylidenehex-1-yne
CID 22638461
2-Methylnona-1,8-dien-3-yne
CID 10986278
4,9-Dimethylidenecyclodeca-1,6-diyne
CID 14566409

Frequently Asked Questions

What is the IUPAC name of 4-methylidenehept-2-yne?
The IUPAC name of 4-methylidenehept-2-yne (CID 123468308) is 4-methylidenehept-2-yne.
What is the SMILES notation for 4-methylidenehept-2-yne?
The canonical SMILES for 4-methylidenehept-2-yne is C=C(C#CC)CCC.
What is the InChIKey of 4-methylidenehept-2-yne?
The InChIKey is LGINTEXRHVAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-4-6-8(3)7-5-2/h3-4,6H2,1-2H3.
What are the key properties of 4-methylidenehept-2-yne?
4-methylidenehept-2-yne has a molecular weight of 108.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehept-2-yne is sourced from PubChem (CID 123468308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).