1-(1-ethylcyclopentyl)cyclopenta-1,3-diene

C12H18 — CID 159579103

IUPAC1-(1-ethylcyclopentyl)cyclopenta-1,3-diene
SMILESCCC1(C2=CC=CC2)CCCC1
InChIInChI=1S/C12H18/c1-2-12(9-5-6-10-12)11-7-3-4-8-11/h3-4,7H,2,5-6,8-10H2,1H3
InChIKeyYOTNSQFAMWQTEU-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds2

About 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene

1-(1-ethylcyclopentyl)cyclopenta-1,3-diene (PubChem CID 159579103) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)cyclopenta-1,3-diene
PubChem CID159579103
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-(1-ethylcyclopentyl)cyclopenta-1,3-diene
SMILESCCC1(C2=CC=CC2)CCCC1
InChIInChI=1S/C12H18/c1-2-12(9-5-6-10-12)11-7-3-4-8-11/h3-4,7H,2,5-6,8-10H2,1H3
InChIKeyYOTNSQFAMWQTEU-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene (CID 159579103) is 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene is CCC1(C2=CC=CC2)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene?
The InChIKey is YOTNSQFAMWQTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-12(9-5-6-10-12)11-7-3-4-8-11/h3-4,7H,2,5-6,8-10H2,1H3.
What are the key properties of 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene?
1-(1-ethylcyclopentyl)cyclopenta-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)cyclopenta-1,3-diene is sourced from PubChem (CID 159579103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).