1,2-diethynylcyclohexane

C10H12 — CID 76541285

IUPAC1,2-diethynylcyclohexane
SMILESC#CC1CCCCC1C#C
InChIInChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h1-2,9-10H,5-8H2
InChIKeyGODWHSFLQDWKEH-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.06
Rot. Bonds

About 1,2-diethynylcyclohexane

1,2-diethynylcyclohexane (PubChem CID 76541285) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,2-diethynylcyclohexane.

Molecular Properties

Compound Name1,2-diethynylcyclohexane
PubChem CID76541285
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1,2-diethynylcyclohexane
SMILESC#CC1CCCCC1C#C
InChIInChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h1-2,9-10H,5-8H2
InChIKeyGODWHSFLQDWKEH-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.06
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

(Prop-2-yn-1-yl)cyclohexane
CID 87265
Ethynylcyclohexane
CID 70263
(But-3-yn-1-yl)cyclohexane
CID 15172911
(But-3-yn-2-yl)cyclohexane
CID 54488815
1-Fluoroprop-2-ynylcyclohexane
CID 90995544
1,2-Di(prop-2-ynyl)cyclohexane
CID 556396
(Buta-1,3-diyn-1-yl)cyclohexane
CID 14529098
1-Fluoro-4-prop-2-ynylcyclohexane
CID 54432571
(Pent-4-yn-1-yl)cyclohexane
CID 15172912
Bicyclo[9.4.0]pentadeca-2,9-diyne
CID 134978450
Bicyclo[11.4.0]heptadeca-3,10-diyne
CID 134994752
5,6,11,12-Tetradehydro-1,2,3,4,4a,7,8,9,10,12a-decahydrobenzo[10]annulene
CID 134994893

Frequently Asked Questions

What is the IUPAC name of 1,2-diethynylcyclohexane?
The IUPAC name of 1,2-diethynylcyclohexane (CID 76541285) is 1,2-diethynylcyclohexane.
What is the SMILES notation for 1,2-diethynylcyclohexane?
The canonical SMILES for 1,2-diethynylcyclohexane is C#CC1CCCCC1C#C.
What is the InChIKey of 1,2-diethynylcyclohexane?
The InChIKey is GODWHSFLQDWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h1-2,9-10H,5-8H2.
What are the key properties of 1,2-diethynylcyclohexane?
1,2-diethynylcyclohexane has a molecular weight of 132.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynylcyclohexane is sourced from PubChem (CID 76541285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).