1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene

C18H30 — CID 15482196

IUPAC1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C(CCCC)=CC(CCCC)=C1CCCC
InChIInChI=1S/C18H30/c1-5-8-11-16-14-17(12-9-6-2)18(15(16)4)13-10-7-3/h14H,4-13H2,1-3H3
InChIKeyYLYXBEAKOLZHGH-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.35
Rot. Bonds9

About 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene

1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene (PubChem CID 15482196) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene
PubChem CID15482196
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C(CCCC)=CC(CCCC)=C1CCCC
InChIInChI=1S/C18H30/c1-5-8-11-16-14-17(12-9-6-2)18(15(16)4)13-10-7-3/h14H,4-13H2,1-3H3
InChIKeyYLYXBEAKOLZHGH-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene 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

(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
Sylveterpinolene
CID 524200
2-Methyl-2-undecene
CID 549973
1-Propylcyclopentene
CID 137815
4-Nonene, 5-butyl-
CID 300477
Cyclopentene, 1-butyl-
CID 137594
1,3,6,9-Nonadecatetraene, (3Z,6Z,9Z)-
CID 6440707
7-Ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
3-Butyl-1-methylcyclopenta-1,3-diene
CID 11094679
7-Methyl-6-tridecene
CID 5364660
8-Heptadecene, 9-octyl-
CID 292287
Cyclopentene, 1-pentyl-
CID 138179

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene (CID 15482196) is 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene is C=C1C(CCCC)=CC(CCCC)=C1CCCC.
What is the InChIKey of 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene?
The InChIKey is YLYXBEAKOLZHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-5-8-11-16-14-17(12-9-6-2)18(15(16)4)13-10-7-3/h14H,4-13H2,1-3H3.
What are the key properties of 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene?
1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene has a molecular weight of 246.44 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tributyl-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 15482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).