3,15-dimethylideneheptadeca-1,16-diyne

C19H28 — CID 10491337

IUPAC3,15-dimethylideneheptadeca-1,16-diyne
SMILESC#CC(=C)CCCCCCCCCCCC(=C)C#C
InChIInChI=1S/C19H28/c1-5-18(3)16-14-12-10-8-7-9-11-13-15-17-19(4)6-2/h1-2H,3-4,7-17H2
InChIKeyDJADIGHFHOCTQN-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.66
Rot. Bonds12

About 3,15-dimethylideneheptadeca-1,16-diyne

3,15-dimethylideneheptadeca-1,16-diyne (PubChem CID 10491337) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,15-dimethylideneheptadeca-1,16-diyne.

Molecular Properties

Compound Name3,15-dimethylideneheptadeca-1,16-diyne
PubChem CID10491337
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name3,15-dimethylideneheptadeca-1,16-diyne
SMILESC#CC(=C)CCCCCCCCCCCC(=C)C#C
InChIInChI=1S/C19H28/c1-5-18(3)16-14-12-10-8-7-9-11-13-15-17-19(4)6-2/h1-2H,3-4,7-17H2
InChIKeyDJADIGHFHOCTQN-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.66
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
3,14-Dimethylidenehexadeca-1,15-diyne
CID 10490381
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 3,15-dimethylideneheptadeca-1,16-diyne?
The IUPAC name of 3,15-dimethylideneheptadeca-1,16-diyne (CID 10491337) is 3,15-dimethylideneheptadeca-1,16-diyne.
What is the SMILES notation for 3,15-dimethylideneheptadeca-1,16-diyne?
The canonical SMILES for 3,15-dimethylideneheptadeca-1,16-diyne is C#CC(=C)CCCCCCCCCCCC(=C)C#C.
What is the InChIKey of 3,15-dimethylideneheptadeca-1,16-diyne?
The InChIKey is DJADIGHFHOCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-5-18(3)16-14-12-10-8-7-9-11-13-15-17-19(4)6-2/h1-2H,3-4,7-17H2.
What are the key properties of 3,15-dimethylideneheptadeca-1,16-diyne?
3,15-dimethylideneheptadeca-1,16-diyne has a molecular weight of 256.43 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-dimethylideneheptadeca-1,16-diyne is sourced from PubChem (CID 10491337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).