2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene

C14H18O — CID 15841181

IUPAC2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
SMILESC1=CC(CCOCCC2=CCC=C2)=CC1
InChIInChI=1S/C14H18O/c1-2-6-13(5-1)9-11-15-12-10-14-7-3-4-8-14/h1,3,5-8H,2,4,9-12H2
InChIKeyACEJXCPLTLKOLW-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene

2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene (PubChem CID 15841181) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
PubChem CID15841181
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
SMILESC1=CC(CCOCCC2=CCC=C2)=CC1
InChIInChI=1S/C14H18O/c1-2-6-13(5-1)9-11-15-12-10-14-7-3-4-8-14/h1,3,5-8H,2,4,9-12H2
InChIKeyACEJXCPLTLKOLW-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene?
The IUPAC name of 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene (CID 15841181) is 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene.
What is the SMILES notation for 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene?
The canonical SMILES for 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene is C1=CC(CCOCCC2=CCC=C2)=CC1.
What is the InChIKey of 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene?
The InChIKey is ACEJXCPLTLKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-6-13(5-1)9-11-15-12-10-14-7-3-4-8-14/h1,3,5-8H,2,4,9-12H2.
What are the key properties of 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene?
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene has a molecular weight of 202.30 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene is sourced from PubChem (CID 15841181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).