3,11-dimethylidenetrideca-1,12-diyne

C15H20 — CID 10608109

IUPAC3,11-dimethylidenetrideca-1,12-diyne
SMILESC#CC(=C)CCCCCCCC(=C)C#C
InChIInChI=1S/C15H20/c1-5-14(3)12-10-8-7-9-11-13-15(4)6-2/h1-2H,3-4,7-13H2
InChIKeyVWZMWDCXJVNVFR-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.10
Rot. Bonds8

About 3,11-dimethylidenetrideca-1,12-diyne

3,11-dimethylidenetrideca-1,12-diyne (PubChem CID 10608109) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,11-dimethylidenetrideca-1,12-diyne.

Molecular Properties

Compound Name3,11-dimethylidenetrideca-1,12-diyne
PubChem CID10608109
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name3,11-dimethylidenetrideca-1,12-diyne
SMILESC#CC(=C)CCCCCCCC(=C)C#C
InChIInChI=1S/C15H20/c1-5-14(3)12-10-8-7-9-11-13-15(4)6-2/h1-2H,3-4,7-13H2
InChIKeyVWZMWDCXJVNVFR-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.10
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-Methylene-undec-5-yne
CID 10866683
Methylidenecyclododecane
CID 2775264
1-Dodecen-11-yne
CID 10997389
7-Pentadecyne, 9-methylene-
CID 11816883
2-Methylhept-1-en-6-yne
CID 10396805
1-Nonyne, 3-methylene-
CID 11018929
Tridec-1-en-12-yne
CID 11019432
3-Methylideneoct-1-yne
CID 12939487
Methylidenecyclotridecane
CID 13867802
3,14-Dimethylidenehexadeca-1,15-diyne
CID 10490381
3,15-Dimethylideneheptadeca-1,16-diyne
CID 10491337
3,18-Dimethylideneicosa-1,19-diyne
CID 10566020

Frequently Asked Questions

What is the IUPAC name of 3,11-dimethylidenetrideca-1,12-diyne?
The IUPAC name of 3,11-dimethylidenetrideca-1,12-diyne (CID 10608109) is 3,11-dimethylidenetrideca-1,12-diyne.
What is the SMILES notation for 3,11-dimethylidenetrideca-1,12-diyne?
The canonical SMILES for 3,11-dimethylidenetrideca-1,12-diyne is C#CC(=C)CCCCCCCC(=C)C#C.
What is the InChIKey of 3,11-dimethylidenetrideca-1,12-diyne?
The InChIKey is VWZMWDCXJVNVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-5-14(3)12-10-8-7-9-11-13-15(4)6-2/h1-2H,3-4,7-13H2.
What are the key properties of 3,11-dimethylidenetrideca-1,12-diyne?
3,11-dimethylidenetrideca-1,12-diyne has a molecular weight of 200.32 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethylidenetrideca-1,12-diyne is sourced from PubChem (CID 10608109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).