1-cyclopentyl-2-prop-2-ynylcyclohexane

C14H22 — CID 123596772

IUPAC1-cyclopentyl-2-prop-2-ynylcyclohexane
SMILESC#CCC1CCCCC1C1CCCC1
InChIInChI=1S/C14H22/c1-2-7-12-8-5-6-11-14(12)13-9-3-4-10-13/h1,12-14H,3-11H2
InChIKeyYXOHOZRLZYIPRK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.01
Rot. Bonds2

About 1-cyclopentyl-2-prop-2-ynylcyclohexane

1-cyclopentyl-2-prop-2-ynylcyclohexane (PubChem CID 123596772) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-prop-2-ynylcyclohexane.

Molecular Properties

Compound Name1-cyclopentyl-2-prop-2-ynylcyclohexane
PubChem CID123596772
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-cyclopentyl-2-prop-2-ynylcyclohexane
SMILESC#CCC1CCCCC1C1CCCC1
InChIInChI=1S/C14H22/c1-2-7-12-8-5-6-11-14(12)13-9-3-4-10-13/h1,12-14H,3-11H2
InChIKeyYXOHOZRLZYIPRK-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.01
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

(But-3-yn-2-yl)cyclohexane
CID 54488815
1,2-Di(prop-2-ynyl)cyclohexane
CID 556396
1,2-Diethynylcyclohexane
CID 76541285
Bicyclo[9.4.0]pentadeca-2,9-diyne
CID 134978450
8-Cyclohexyloct-1-yne
CID 19817971
Cyclopent-2-yn-1-ylcyclohexane
CID 21224637
(Hex-5-yn-1-yl)cyclopentane
CID 21319603
Hex-5-ynylcyclohexane
CID 57172741
1-Methyl-2-prop-2-ynylcyclohexane
CID 58115040
1-Hex-4-yn-2-yl-2-methylcyclohexane
CID 123680806
1-Ethyl-2-ethynylcyclohexane
CID 131127974
1-[(2S)-but-3-yn-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 141003335

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-prop-2-ynylcyclohexane?
The IUPAC name of 1-cyclopentyl-2-prop-2-ynylcyclohexane (CID 123596772) is 1-cyclopentyl-2-prop-2-ynylcyclohexane.
What is the SMILES notation for 1-cyclopentyl-2-prop-2-ynylcyclohexane?
The canonical SMILES for 1-cyclopentyl-2-prop-2-ynylcyclohexane is C#CCC1CCCCC1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-prop-2-ynylcyclohexane?
The InChIKey is YXOHOZRLZYIPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-7-12-8-5-6-11-14(12)13-9-3-4-10-13/h1,12-14H,3-11H2.
What are the key properties of 1-cyclopentyl-2-prop-2-ynylcyclohexane?
1-cyclopentyl-2-prop-2-ynylcyclohexane has a molecular weight of 190.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-prop-2-ynylcyclohexane is sourced from PubChem (CID 123596772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).