1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene

C18H22 — CID 18927502

IUPAC1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene
SMILESC#CCCCCC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C18H22/c1-3-4-5-10-15-18(2,16-11-6-7-12-16)17-13-8-9-14-17/h1,6-9,11,13H,4-5,10,12,14-15H2,2H3
InChIKeyXDSNYERERYRJAR-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.96
Rot. Bonds6

About 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene

1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene (PubChem CID 18927502) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene
PubChem CID18927502
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene
SMILESC#CCCCCC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C18H22/c1-3-4-5-10-15-18(2,16-11-6-7-12-16)17-13-8-9-14-17/h1,6-9,11,13H,4-5,10,12,14-15H2,2H3
InChIKeyXDSNYERERYRJAR-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene (CID 18927502) is 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene is C#CCCCCC(C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene?
The InChIKey is XDSNYERERYRJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-4-5-10-15-18(2,16-11-6-7-12-16)17-13-8-9-14-17/h1,6-9,11,13H,4-5,10,12,14-15H2,2H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene?
1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene has a molecular weight of 238.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-yloct-7-yn-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 18927502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).