1,2-diethynylcyclohexene

C10H10 — CID 10986251

IUPAC1,2-diethynylcyclohexene
SMILESC#CC1=C(C#C)CCCC1
InChIInChI=1S/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h1-2H,5-8H2
InChIKeyBTAQCZNRMSONHM-UHFFFAOYSA-N
MW130.19 g/mol
LogP2.12
Rot. Bonds

About 1,2-diethynylcyclohexene

1,2-diethynylcyclohexene (PubChem CID 10986251) has the molecular formula C10H10 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,2-diethynylcyclohexene.

Molecular Properties

Compound Name1,2-diethynylcyclohexene
PubChem CID10986251
Molecular FormulaC10H10
Molecular Weight130.19 g/mol
Exact Mass130.08
IUPAC Name1,2-diethynylcyclohexene
SMILESC#CC1=C(C#C)CCCC1
InChIInChI=1S/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h1-2H,5-8H2
InChIKeyBTAQCZNRMSONHM-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethynylcyclohexene?
The IUPAC name of 1,2-diethynylcyclohexene (CID 10986251) is 1,2-diethynylcyclohexene.
What is the SMILES notation for 1,2-diethynylcyclohexene?
The canonical SMILES for 1,2-diethynylcyclohexene is C#CC1=C(C#C)CCCC1.
What is the InChIKey of 1,2-diethynylcyclohexene?
The InChIKey is BTAQCZNRMSONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h1-2H,5-8H2.
What are the key properties of 1,2-diethynylcyclohexene?
1,2-diethynylcyclohexene has a molecular weight of 130.19 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynylcyclohexene is sourced from PubChem (CID 10986251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).