5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne

C24H24 — CID 154721066

IUPAC5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne
SMILESCC(C)=C1C#CC#CC(=C(C)C)C(=C(C)C)C#CC#CC1=C(C)C
InChIInChI=1S/C24H24/c1-17(2)21-13-9-10-15-23(19(5)6)24(20(7)8)16-12-11-14-22(21)18(3)4/h1-8H3
InChIKeyXXBWKBFQTJNPSQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.36
Rot. Bonds

About 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne

5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne (PubChem CID 154721066) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne.

Molecular Properties

Compound Name5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne
PubChem CID154721066
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne
SMILESCC(C)=C1C#CC#CC(=C(C)C)C(=C(C)C)C#CC#CC1=C(C)C
InChIInChI=1S/C24H24/c1-17(2)21-13-9-10-15-23(19(5)6)24(20(7)8)16-12-11-14-22(21)18(3)4/h1-8H3
InChIKeyXXBWKBFQTJNPSQ-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
CID 154721570
Octamethylcyclooctatetraene
CID 12750030
(4E,6E)-4,5,6,7-tetramethyldeca-4,6-dien-2,8-diyne
CID 12461986
(5E,7E)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461987
(5Z,7Z)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461988
6-Pent-1-ynyl-7-propyldodec-6-en-4,8-diyne
CID 13416361
(4E,5E)-4,5-di(ethylidene)octa-2,6-diyne
CID 91999195
Octaethynylcyclooctatetraene
CID 100965113
(4E,6E)-4,6-dimethylnona-4,6-dien-2-yne
CID 134857609
5,6,11,12,17,18-Hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne
CID 154721470
3,12-Diethynyl-2,13-dimethyl-7,8-dimethylidene-4,11-di(propan-2-ylidene)tetradeca-2,12-dien-5,9-diyne
CID 154721471
(E)-5,6-diethyldec-5-en-3,7-diyne
CID 101280147

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne?
The IUPAC name of 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne (CID 154721066) is 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne.
What is the SMILES notation for 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne?
The canonical SMILES for 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne is CC(C)=C1C#CC#CC(=C(C)C)C(=C(C)C)C#CC#CC1=C(C)C.
What is the InChIKey of 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne?
The InChIKey is XXBWKBFQTJNPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-17(2)21-13-9-10-15-23(19(5)6)24(20(7)8)16-12-11-14-22(21)18(3)4/h1-8H3.
What are the key properties of 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne?
5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne has a molecular weight of 312.46 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12-tetra(propan-2-ylidene)cyclododeca-1,3,7,9-tetrayne is sourced from PubChem (CID 154721066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).