3-(cyclopentylidenemethyl)pent-1-ynylbenzene

C17H20 — CID 135043936

IUPAC3-(cyclopentylidenemethyl)pent-1-ynylbenzene
SMILESCCC(C#Cc1ccccc1)C=C1CCCC1
InChIInChI=1S/C17H20/c1-2-15(14-17-10-6-7-11-17)12-13-16-8-4-3-5-9-16/h3-5,8-9,14-15H,2,6-7,10-11H2,1H3
InChIKeyCDORCMZGMLZKQT-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.56
Rot. Bonds2

About 3-(cyclopentylidenemethyl)pent-1-ynylbenzene

3-(cyclopentylidenemethyl)pent-1-ynylbenzene (PubChem CID 135043936) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(cyclopentylidenemethyl)pent-1-ynylbenzene.

Molecular Properties

Compound Name3-(cyclopentylidenemethyl)pent-1-ynylbenzene
PubChem CID135043936
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name3-(cyclopentylidenemethyl)pent-1-ynylbenzene
SMILESCCC(C#Cc1ccccc1)C=C1CCCC1
InChIInChI=1S/C17H20/c1-2-15(14-17-10-6-7-11-17)12-13-16-8-4-3-5-9-16/h3-5,8-9,14-15H,2,6-7,10-11H2,1H3
InChIKeyCDORCMZGMLZKQT-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethyl)pent-1-ynylbenzene?
The IUPAC name of 3-(cyclopentylidenemethyl)pent-1-ynylbenzene (CID 135043936) is 3-(cyclopentylidenemethyl)pent-1-ynylbenzene.
What is the SMILES notation for 3-(cyclopentylidenemethyl)pent-1-ynylbenzene?
The canonical SMILES for 3-(cyclopentylidenemethyl)pent-1-ynylbenzene is CCC(C#Cc1ccccc1)C=C1CCCC1.
What is the InChIKey of 3-(cyclopentylidenemethyl)pent-1-ynylbenzene?
The InChIKey is CDORCMZGMLZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-2-15(14-17-10-6-7-11-17)12-13-16-8-4-3-5-9-16/h3-5,8-9,14-15H,2,6-7,10-11H2,1H3.
What are the key properties of 3-(cyclopentylidenemethyl)pent-1-ynylbenzene?
3-(cyclopentylidenemethyl)pent-1-ynylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethyl)pent-1-ynylbenzene is sourced from PubChem (CID 135043936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).