3,12-dimethylidenetetradeca-1,13-diyne

C16H22 — CID 10798699

IUPAC3,12-dimethylidenetetradeca-1,13-diyne
SMILESC#CC(=C)CCCCCCCCC(=C)C#C
InChIInChI=1S/C16H22/c1-5-15(3)13-11-9-7-8-10-12-14-16(4)6-2/h1-2H,3-4,7-14H2
InChIKeyDTWZGGAGDRBNHA-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.49
Rot. Bonds9

About 3,12-dimethylidenetetradeca-1,13-diyne

3,12-dimethylidenetetradeca-1,13-diyne (PubChem CID 10798699) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,12-dimethylidenetetradeca-1,13-diyne.

Molecular Properties

Compound Name3,12-dimethylidenetetradeca-1,13-diyne
PubChem CID10798699
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name3,12-dimethylidenetetradeca-1,13-diyne
SMILESC#CC(=C)CCCCCCCCC(=C)C#C
InChIInChI=1S/C16H22/c1-5-15(3)13-11-9-7-8-10-12-14-16(4)6-2/h1-2H,3-4,7-14H2
InChIKeyDTWZGGAGDRBNHA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.49
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
3,13-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 3,12-dimethylidenetetradeca-1,13-diyne?
The IUPAC name of 3,12-dimethylidenetetradeca-1,13-diyne (CID 10798699) is 3,12-dimethylidenetetradeca-1,13-diyne.
What is the SMILES notation for 3,12-dimethylidenetetradeca-1,13-diyne?
The canonical SMILES for 3,12-dimethylidenetetradeca-1,13-diyne is C#CC(=C)CCCCCCCCC(=C)C#C.
What is the InChIKey of 3,12-dimethylidenetetradeca-1,13-diyne?
The InChIKey is DTWZGGAGDRBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-5-15(3)13-11-9-7-8-10-12-14-16(4)6-2/h1-2H,3-4,7-14H2.
What are the key properties of 3,12-dimethylidenetetradeca-1,13-diyne?
3,12-dimethylidenetetradeca-1,13-diyne has a molecular weight of 214.35 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-dimethylidenetetradeca-1,13-diyne is sourced from PubChem (CID 10798699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).