(2-ethynylcyclopropyl)cyclohexane

C11H16 — CID 11062536

IUPAC(2-ethynylcyclopropyl)cyclohexane
SMILESC#CC1CC1C1CCCCC1
InChIInChI=1S/C11H16/c1-2-9-8-11(9)10-6-4-3-5-7-10/h1,9-11H,3-8H2
InChIKeyGSNZDQGOAHZMJV-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.84
Rot. Bonds1

About (2-ethynylcyclopropyl)cyclohexane

(2-ethynylcyclopropyl)cyclohexane (PubChem CID 11062536) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (2-ethynylcyclopropyl)cyclohexane.

Molecular Properties

Compound Name(2-ethynylcyclopropyl)cyclohexane
PubChem CID11062536
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(2-ethynylcyclopropyl)cyclohexane
SMILESC#CC1CC1C1CCCCC1
InChIInChI=1S/C11H16/c1-2-9-8-11(9)10-6-4-3-5-7-10/h1,9-11H,3-8H2
InChIKeyGSNZDQGOAHZMJV-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
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

Cyclohexane, cyclopropyl-
CID 141725
(But-3-yn-1-yl)cyclohexane
CID 15172911
(But-3-yn-2-yl)cyclohexane
CID 54488815
1-Ethynyl-4-(propan-2-yl)cyclohexane
CID 121207030
1,2-Di(prop-2-ynyl)cyclohexane
CID 556396
(Pent-4-yn-1-yl)cyclohexane
CID 15172912
1,3-Bis(prop-2-ynyl)cyclohexane
CID 134885344
1,3-Bis(but-3-ynyl)cyclohexane
CID 134885358
1,4-Bis(but-3-ynyl)cyclohexane
CID 134897485
Pemsdycvopxzeu-ryudhwbxsa-
CID 21586726
8-Cyclohexyloct-1-yne
CID 19817971
Cyclopent-2-yn-1-ylcyclohexane
CID 21224637

Frequently Asked Questions

What is the IUPAC name of (2-ethynylcyclopropyl)cyclohexane?
The IUPAC name of (2-ethynylcyclopropyl)cyclohexane (CID 11062536) is (2-ethynylcyclopropyl)cyclohexane.
What is the SMILES notation for (2-ethynylcyclopropyl)cyclohexane?
The canonical SMILES for (2-ethynylcyclopropyl)cyclohexane is C#CC1CC1C1CCCCC1.
What is the InChIKey of (2-ethynylcyclopropyl)cyclohexane?
The InChIKey is GSNZDQGOAHZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-9-8-11(9)10-6-4-3-5-7-10/h1,9-11H,3-8H2.
What are the key properties of (2-ethynylcyclopropyl)cyclohexane?
(2-ethynylcyclopropyl)cyclohexane has a molecular weight of 148.25 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 (2-ethynylcyclopropyl)cyclohexane is sourced from PubChem (CID 11062536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).