3,14-dimethylidenehexadeca-1,15-diyne

C18H26 — CID 10490381

IUPAC3,14-dimethylidenehexadeca-1,15-diyne
SMILESC#CC(=C)CCCCCCCCCCC(=C)C#C
InChIInChI=1S/C18H26/c1-5-17(3)15-13-11-9-7-8-10-12-14-16-18(4)6-2/h1-2H,3-4,7-16H2
InChIKeyLREIURGTOLYPTF-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.27
Rot. Bonds11

About 3,14-dimethylidenehexadeca-1,15-diyne

3,14-dimethylidenehexadeca-1,15-diyne (PubChem CID 10490381) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3,14-dimethylidenehexadeca-1,15-diyne.

Molecular Properties

Compound Name3,14-dimethylidenehexadeca-1,15-diyne
PubChem CID10490381
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name3,14-dimethylidenehexadeca-1,15-diyne
SMILESC#CC(=C)CCCCCCCCCCC(=C)C#C
InChIInChI=1S/C18H26/c1-5-17(3)15-13-11-9-7-8-10-12-14-16-18(4)6-2/h1-2H,3-4,7-16H2
InChIKeyLREIURGTOLYPTF-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.27
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

7-Pentadecyne, 9-methylene-
CID 11816883
1-Nonyne, 3-methylene-
CID 11018929
3-Methylideneoct-1-yne
CID 12939487
Methylenecyclopentadecane
CID 24974098
3,15-Dimethylideneheptadeca-1,16-diyne
CID 10491337
3,18-Dimethylideneicosa-1,19-diyne
CID 10566020
3,11-Dimethylidenetrideca-1,12-diyne
CID 10608109
6-Ethenylidenedec-1-yne
CID 10678566
3,16-Dimethylideneoctadeca-1,17-diyne
CID 10683495
3,12-Dimethylidenetetradeca-1,13-diyne
CID 10798699
3,13-Dimethylidenepentadeca-1,14-diyne
CID 10846984
6,8-Dimethyltetradeca-6,7-dien-1,13-diyne
CID 10900010

Frequently Asked Questions

What is the IUPAC name of 3,14-dimethylidenehexadeca-1,15-diyne?
The IUPAC name of 3,14-dimethylidenehexadeca-1,15-diyne (CID 10490381) is 3,14-dimethylidenehexadeca-1,15-diyne.
What is the SMILES notation for 3,14-dimethylidenehexadeca-1,15-diyne?
The canonical SMILES for 3,14-dimethylidenehexadeca-1,15-diyne is C#CC(=C)CCCCCCCCCCC(=C)C#C.
What is the InChIKey of 3,14-dimethylidenehexadeca-1,15-diyne?
The InChIKey is LREIURGTOLYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-5-17(3)15-13-11-9-7-8-10-12-14-16-18(4)6-2/h1-2H,3-4,7-16H2.
What are the key properties of 3,14-dimethylidenehexadeca-1,15-diyne?
3,14-dimethylidenehexadeca-1,15-diyne has a molecular weight of 242.41 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,14-dimethylidenehexadeca-1,15-diyne is sourced from PubChem (CID 10490381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).