5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene

C13H20 — CID 10931976

IUPAC5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESC=CCCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H20/c1-6-7-8-13-11(4)9(2)10(3)12(13)5/h6,13H,1,7-8H2,2-5H3
InChIKeyYIUZYAXUMOJLKR-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds3

About 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene

5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 10931976) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID10931976
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESC=CCCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H20/c1-6-7-8-13-11(4)9(2)10(3)12(13)5/h6,13H,1,7-8H2,2-5H3
InChIKeyYIUZYAXUMOJLKR-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 10931976) is 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene is C=CCCC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is YIUZYAXUMOJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-6-7-8-13-11(4)9(2)10(3)12(13)5/h6,13H,1,7-8H2,2-5H3.
What are the key properties of 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 10931976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).