3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene

C20H30 — CID 101202010

IUPAC3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
SMILESCCCCC1=CCC(CCC2=CC(CCCC)=CC2)=C1
InChIInChI=1S/C20H30/c1-3-5-7-17-9-11-19(15-17)13-14-20-12-10-18(16-20)8-6-4-2/h9-10,15-16H,3-8,11-14H2,1-2H3
InChIKeyFATXGBCPFIHFKM-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.66
Rot. Bonds9

About 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene

3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene (PubChem CID 101202010) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
PubChem CID101202010
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
SMILESCCCCC1=CCC(CCC2=CC(CCCC)=CC2)=C1
InChIInChI=1S/C20H30/c1-3-5-7-17-9-11-19(15-17)13-14-20-12-10-18(16-20)8-6-4-2/h9-10,15-16H,3-8,11-14H2,1-2H3
InChIKeyFATXGBCPFIHFKM-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
The IUPAC name of 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene (CID 101202010) is 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene.
What is the SMILES notation for 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
The canonical SMILES for 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene is CCCCC1=CCC(CCC2=CC(CCCC)=CC2)=C1.
What is the InChIKey of 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
The InChIKey is FATXGBCPFIHFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-3-5-7-17-9-11-19(15-17)13-14-20-12-10-18(16-20)8-6-4-2/h9-10,15-16H,3-8,11-14H2,1-2H3.
What are the key properties of 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene?
3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene has a molecular weight of 270.46 g/mol, XLogP of 6.66, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene is sourced from PubChem (CID 101202010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).