3,18-dimethylideneicosa-1,19-diyne

C22H34 — CID 10566020

IUPAC3,18-dimethylideneicosa-1,19-diyne
SMILESC#CC(=C)CCCCCCCCCCCCCCC(=C)C#C
InChIInChI=1S/C22H34/c1-5-21(3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4)6-2/h1-2H,3-4,7-20H2
InChIKeyNQDRVRDBXYIDKD-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.83
Rot. Bonds15

About 3,18-dimethylideneicosa-1,19-diyne

3,18-dimethylideneicosa-1,19-diyne (PubChem CID 10566020) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 3,18-dimethylideneicosa-1,19-diyne.

Molecular Properties

Compound Name3,18-dimethylideneicosa-1,19-diyne
PubChem CID10566020
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name3,18-dimethylideneicosa-1,19-diyne
SMILESC#CC(=C)CCCCCCCCCCCCCCC(=C)C#C
InChIInChI=1S/C22H34/c1-5-21(3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4)6-2/h1-2H,3-4,7-20H2
InChIKeyNQDRVRDBXYIDKD-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.83
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'}

Analyze 3,18-dimethylideneicosa-1,19-diyne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Pentadecyne, 9-methylene-
CID 11816883
1-Nonyne, 3-methylene-
CID 11018929
3,14-Dimethylidenehexadeca-1,15-diyne
CID 10490381
3,15-Dimethylideneheptadeca-1,16-diyne
CID 10491337
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
3-Methylidenecyclopentadecyne
CID 15504587
13-Methylidenetricos-11-yne
CID 15584279
5,12-Dimethylidenecyclotetradeca-1,8-diyne
CID 15811833

Frequently Asked Questions

What is the IUPAC name of 3,18-dimethylideneicosa-1,19-diyne?
The IUPAC name of 3,18-dimethylideneicosa-1,19-diyne (CID 10566020) is 3,18-dimethylideneicosa-1,19-diyne.
What is the SMILES notation for 3,18-dimethylideneicosa-1,19-diyne?
The canonical SMILES for 3,18-dimethylideneicosa-1,19-diyne is C#CC(=C)CCCCCCCCCCCCCCC(=C)C#C.
What is the InChIKey of 3,18-dimethylideneicosa-1,19-diyne?
The InChIKey is NQDRVRDBXYIDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-5-21(3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4)6-2/h1-2H,3-4,7-20H2.
What are the key properties of 3,18-dimethylideneicosa-1,19-diyne?
3,18-dimethylideneicosa-1,19-diyne has a molecular weight of 298.51 g/mol, XLogP of 6.83, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,18-dimethylideneicosa-1,19-diyne is sourced from PubChem (CID 10566020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).