3,13-dimethylidenepentadeca-1,14-diyne

C17H24 — CID 10846984

IUPAC3,13-dimethylidenepentadeca-1,14-diyne
SMILESC#CC(=C)CCCCCCCCCC(=C)C#C
InChIInChI=1S/C17H24/c1-5-16(3)14-12-10-8-7-9-11-13-15-17(4)6-2/h1-2H,3-4,7-15H2
InChIKeyOYUJEMZAHLCYBL-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.88
Rot. Bonds10

About 3,13-dimethylidenepentadeca-1,14-diyne

3,13-dimethylidenepentadeca-1,14-diyne (PubChem CID 10846984) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,13-dimethylidenepentadeca-1,14-diyne.

Molecular Properties

Compound Name3,13-dimethylidenepentadeca-1,14-diyne
PubChem CID10846984
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name3,13-dimethylidenepentadeca-1,14-diyne
SMILESC#CC(=C)CCCCCCCCCC(=C)C#C
InChIInChI=1S/C17H24/c1-5-16(3)14-12-10-8-7-9-11-13-15-17(4)6-2/h1-2H,3-4,7-15H2
InChIKeyOYUJEMZAHLCYBL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.88
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
3,15-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
6,8-Dimethyltetradeca-6,7-dien-1,13-diyne
CID 10900010

Frequently Asked Questions

What is the IUPAC name of 3,13-dimethylidenepentadeca-1,14-diyne?
The IUPAC name of 3,13-dimethylidenepentadeca-1,14-diyne (CID 10846984) is 3,13-dimethylidenepentadeca-1,14-diyne.
What is the SMILES notation for 3,13-dimethylidenepentadeca-1,14-diyne?
The canonical SMILES for 3,13-dimethylidenepentadeca-1,14-diyne is C#CC(=C)CCCCCCCCCC(=C)C#C.
What is the InChIKey of 3,13-dimethylidenepentadeca-1,14-diyne?
The InChIKey is OYUJEMZAHLCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-5-16(3)14-12-10-8-7-9-11-13-15-17(4)6-2/h1-2H,3-4,7-15H2.
What are the key properties of 3,13-dimethylidenepentadeca-1,14-diyne?
3,13-dimethylidenepentadeca-1,14-diyne has a molecular weight of 228.38 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-dimethylidenepentadeca-1,14-diyne is sourced from PubChem (CID 10846984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).