1,2-diethynylcyclopentene

C9H8 — CID 11400748

IUPAC1,2-diethynylcyclopentene
SMILESC#CC1=C(C#C)CCC1
InChIInChI=1S/C9H8/c1-3-8-6-5-7-9(8)4-2/h1-2H,5-7H2
InChIKeySOLHZAGCJNSNQH-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.73
Rot. Bonds

About 1,2-diethynylcyclopentene

1,2-diethynylcyclopentene (PubChem CID 11400748) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1,2-diethynylcyclopentene.

Molecular Properties

Compound Name1,2-diethynylcyclopentene
PubChem CID11400748
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Name1,2-diethynylcyclopentene
SMILESC#CC1=C(C#C)CCC1
InChIInChI=1S/C9H8/c1-3-8-6-5-7-9(8)4-2/h1-2H,5-7H2
InChIKeySOLHZAGCJNSNQH-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethylhept-5-en-1-yne
CID 85563048
1,2-Diethynylcyclohexene
CID 10986251
1-Ethynyl-2-methylcyclohex-1-ene
CID 12377444
1-Ethynyl-2-prop-1-ynylcyclopentene
CID 11297985
1-Pent-4-ynylcyclopentene
CID 13351999
(7Z)-7,8-dimethyl-7-tetradecene-1,13-diyne
CID 13356668
1-Buta-1,2,3-trienyl-2-ethynylcyclopentene
CID 134977123
1,2-Diethynylcyclohept-1-ene
CID 137796796
(z)-1,2-Diethynylcyclooct-1-ene
CID 137796798
(z)-1,2-Diethynylcyclonon-1-ene
CID 137796802
(z)-1,2-Diethynylcyclodec-1-ene
CID 137796805
(z)-1,2-Diethynylcycloundec-1-ene
CID 137796810

Frequently Asked Questions

What is the IUPAC name of 1,2-diethynylcyclopentene?
The IUPAC name of 1,2-diethynylcyclopentene (CID 11400748) is 1,2-diethynylcyclopentene.
What is the SMILES notation for 1,2-diethynylcyclopentene?
The canonical SMILES for 1,2-diethynylcyclopentene is C#CC1=C(C#C)CCC1.
What is the InChIKey of 1,2-diethynylcyclopentene?
The InChIKey is SOLHZAGCJNSNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-3-8-6-5-7-9(8)4-2/h1-2H,5-7H2.
What are the key properties of 1,2-diethynylcyclopentene?
1,2-diethynylcyclopentene has a molecular weight of 116.16 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynylcyclopentene is sourced from PubChem (CID 11400748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).