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

C16H18 — CID 102041805

IUPAC5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene
SMILESC=CC(CC(=C)C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C16H18/c1-3-14(16-10-6-7-11-16)12-13(2)15-8-4-5-9-15/h3-11,14-16H,1-2,12H2
InChIKeyJBPGDPBRIDWLNL-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.22
Rot. Bonds5

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

5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene (PubChem CID 102041805) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene
PubChem CID102041805
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene
SMILESC=CC(CC(=C)C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C16H18/c1-3-14(16-10-6-7-11-16)12-13(2)15-8-4-5-9-15/h3-11,14-16H,1-2,12H2
InChIKeyJBPGDPBRIDWLNL-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene (CID 102041805) is 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene is C=CC(CC(=C)C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene?
The InChIKey is JBPGDPBRIDWLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-3-14(16-10-6-7-11-16)12-13(2)15-8-4-5-9-15/h3-11,14-16H,1-2,12H2.
What are the key properties of 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene?
5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene has a molecular weight of 210.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 102041805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).