3-hex-1-ynylcyclopentene

C11H16 — CID 45079391

IUPAC3-hex-1-ynylcyclopentene
SMILESCCCCC#CC1C=CCC1
InChIInChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h6,9,11H,2-4,7,10H2,1H3
InChIKeyQZRQHJCDBWWJIP-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.15
Rot. Bonds2

About 3-hex-1-ynylcyclopentene

3-hex-1-ynylcyclopentene (PubChem CID 45079391) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-hex-1-ynylcyclopentene.

Molecular Properties

Compound Name3-hex-1-ynylcyclopentene
PubChem CID45079391
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-hex-1-ynylcyclopentene
SMILESCCCCC#CC1C=CCC1
InChIInChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h6,9,11H,2-4,7,10H2,1H3
InChIKeyQZRQHJCDBWWJIP-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hex-1-ynylcyclopentene?
The IUPAC name of 3-hex-1-ynylcyclopentene (CID 45079391) is 3-hex-1-ynylcyclopentene.
What is the SMILES notation for 3-hex-1-ynylcyclopentene?
The canonical SMILES for 3-hex-1-ynylcyclopentene is CCCCC#CC1C=CCC1.
What is the InChIKey of 3-hex-1-ynylcyclopentene?
The InChIKey is QZRQHJCDBWWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-3-4-5-8-11-9-6-7-10-11/h6,9,11H,2-4,7,10H2,1H3.
What are the key properties of 3-hex-1-ynylcyclopentene?
3-hex-1-ynylcyclopentene has a molecular weight of 148.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-ynylcyclopentene is sourced from PubChem (CID 45079391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).