5,12-dimethylidenecyclotetradeca-1,8-diyne

C16H20 — CID 15811833

IUPAC5,12-dimethylidenecyclotetradeca-1,8-diyne
SMILESC=C1CCC#CCCC(=C)CCC#CCC1
InChIInChI=1S/C16H20/c1-15-11-7-3-5-9-13-16(2)14-10-6-4-8-12-15/h1-2,7-14H2
InChIKeyWHQNQDARXHKNER-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.24
Rot. Bonds

About 5,12-dimethylidenecyclotetradeca-1,8-diyne

5,12-dimethylidenecyclotetradeca-1,8-diyne (PubChem CID 15811833) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 5,12-dimethylidenecyclotetradeca-1,8-diyne.

Molecular Properties

Compound Name5,12-dimethylidenecyclotetradeca-1,8-diyne
PubChem CID15811833
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name5,12-dimethylidenecyclotetradeca-1,8-diyne
SMILESC=C1CCC#CCCC(=C)CCC#CCC1
InChIInChI=1S/C16H20/c1-15-11-7-3-5-9-13-16(2)14-10-6-4-8-12-15/h1-2,7-14H2
InChIKeyWHQNQDARXHKNER-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Methylene-undec-5-yne
CID 10866683
7-Pentadecyne, 9-methylene-
CID 11816883
6-Methylidenenon-4-yne
CID 15584278
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
3,16-Dimethylideneoctadeca-1,17-diyne
CID 10683495
3,12-Dimethylidenetetradeca-1,13-diyne
CID 10798699

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethylidenecyclotetradeca-1,8-diyne?
The IUPAC name of 5,12-dimethylidenecyclotetradeca-1,8-diyne (CID 15811833) is 5,12-dimethylidenecyclotetradeca-1,8-diyne.
What is the SMILES notation for 5,12-dimethylidenecyclotetradeca-1,8-diyne?
The canonical SMILES for 5,12-dimethylidenecyclotetradeca-1,8-diyne is C=C1CCC#CCCC(=C)CCC#CCC1.
What is the InChIKey of 5,12-dimethylidenecyclotetradeca-1,8-diyne?
The InChIKey is WHQNQDARXHKNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-15-11-7-3-5-9-13-16(2)14-10-6-4-8-12-15/h1-2,7-14H2.
What are the key properties of 5,12-dimethylidenecyclotetradeca-1,8-diyne?
5,12-dimethylidenecyclotetradeca-1,8-diyne has a molecular weight of 212.34 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethylidenecyclotetradeca-1,8-diyne is sourced from PubChem (CID 15811833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).