1-ethyl-2-ethynylcyclohexane

C10H16 — CID 131127974

IUPAC1-ethyl-2-ethynylcyclohexane
SMILESC#CC1CCCCC1CC
InChIInChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h1,9-10H,4-8H2,2H3
InChIKeyONDWGULTSNVWGR-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.84
Rot. Bonds1

About 1-ethyl-2-ethynylcyclohexane

1-ethyl-2-ethynylcyclohexane (PubChem CID 131127974) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-ethyl-2-ethynylcyclohexane.

Molecular Properties

Compound Name1-ethyl-2-ethynylcyclohexane
PubChem CID131127974
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-ethyl-2-ethynylcyclohexane
SMILESC#CC1CCCCC1CC
InChIInChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h1,9-10H,4-8H2,2H3
InChIKeyONDWGULTSNVWGR-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.84
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

1-Methyl-2-propylcyclohexane
CID 107252
1,2-Dimethylcyclohexane
CID 11416
Cyclohexane, 1-ethyl-2-methyl-, cis-
CID 23620236
(Prop-2-yn-1-yl)cyclohexane
CID 87265
1,2-Dimethylcyclohexane, cis-
CID 16628
1,2-Dimethylcyclohexane, trans-
CID 23313
1-Ethyl-2-propylcyclohexane
CID 549960
1-Ethyl-2-methylcyclohexane
CID 35413
(But-3-yn-1-yl)cyclohexane
CID 15172911
(1r,2r)-1-Methyl-2-propylcyclohexane
CID 252328
(But-3-yn-2-yl)cyclohexane
CID 54488815
Cyclohexane, 1-ethyl-2-methyl-, trans-
CID 6432471

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-ethynylcyclohexane?
The IUPAC name of 1-ethyl-2-ethynylcyclohexane (CID 131127974) is 1-ethyl-2-ethynylcyclohexane.
What is the SMILES notation for 1-ethyl-2-ethynylcyclohexane?
The canonical SMILES for 1-ethyl-2-ethynylcyclohexane is C#CC1CCCCC1CC.
What is the InChIKey of 1-ethyl-2-ethynylcyclohexane?
The InChIKey is ONDWGULTSNVWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-9-7-5-6-8-10(9)4-2/h1,9-10H,4-8H2,2H3.
What are the key properties of 1-ethyl-2-ethynylcyclohexane?
1-ethyl-2-ethynylcyclohexane has a molecular weight of 136.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-ethynylcyclohexane is sourced from PubChem (CID 131127974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).