1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene

C18H26 — CID 22664460

IUPAC1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
SMILESCCCC1=CCC=C1C1=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C18H26/c1-7-9-15-10-8-11-16(15)17-13(3)12(2)14(4)18(17,5)6/h10-11H,7-9H2,1-6H3
InChIKeyOTRWVPAXGRGQKV-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.74
Rot. Bonds3

About 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene

1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene (PubChem CID 22664460) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
PubChem CID22664460
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
SMILESCCCC1=CCC=C1C1=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C18H26/c1-7-9-15-10-8-11-16(15)17-13(3)12(2)14(4)18(17,5)6/h10-11H,7-9H2,1-6H3
InChIKeyOTRWVPAXGRGQKV-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene (CID 22664460) is 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene is CCCC1=CCC=C1C1=C(C)C(C)=C(C)C1(C)C.
What is the InChIKey of 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene?
The InChIKey is OTRWVPAXGRGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-7-9-15-10-8-11-16(15)17-13(3)12(2)14(4)18(17,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene?
1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene has a molecular weight of 242.41 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 22664460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).