1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene

C17H24 — CID 22664471

IUPAC1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene
SMILESCCCC1=C(C)C(C)(C)C(C2=CCC=C2)=C1C
InChIInChI=1S/C17H24/c1-6-9-15-12(2)16(14-10-7-8-11-14)17(4,5)13(15)3/h7,10-11H,6,8-9H2,1-5H3
InChIKeyPPSWSVCKTFKEFX-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.35
Rot. Bonds3

About 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene

1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene (PubChem CID 22664471) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene
PubChem CID22664471
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene
SMILESCCCC1=C(C)C(C)(C)C(C2=CCC=C2)=C1C
InChIInChI=1S/C17H24/c1-6-9-15-12(2)16(14-10-7-8-11-14)17(4,5)13(15)3/h7,10-11H,6,8-9H2,1-5H3
InChIKeyPPSWSVCKTFKEFX-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,4-dien-1-yl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 21226322
1,2,5,5-tetramethyl-3-propyl-4-[5-(3,4,5,5-tetramethyl-2-propylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]cyclopenta-1,3-diene
CID 173063942
1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
CID 22664460
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene
CID 19977693
2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143596428
2-heptadecylcyclopenta-1,3-diene
CID 91156945
ethane;3-ethyl-2,4-dimethylcyclohepta-1,3,5-triene
CID 145320369
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
CID 67330757
2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3-thiazole;methoxymethane
CID 142254692
2-but-1-enylcyclopenta-1,3-diene
CID 73196654
2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethanol
CID 23303841

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene (CID 22664471) is 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene is CCCC1=C(C)C(C)(C)C(C2=CCC=C2)=C1C.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene?
The InChIKey is PPSWSVCKTFKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-6-9-15-12(2)16(14-10-7-8-11-14)17(4,5)13(15)3/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene?
1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-2,4,5,5-tetramethyl-3-propylcyclopenta-1,3-diene is sourced from PubChem (CID 22664471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).