4-propylcyclohexyne

C9H14 — CID 152972244

IUPAC4-propylcyclohexyne
SMILESCCCC1CC#CCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h9H,2,4,6-8H2,1H3
InChIKeyUSSCSJLVBNQFJF-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.59
Rot. Bonds2

About 4-propylcyclohexyne

4-propylcyclohexyne (PubChem CID 152972244) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-propylcyclohexyne.

Molecular Properties

Compound Name4-propylcyclohexyne
PubChem CID152972244
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-propylcyclohexyne
SMILESCCCC1CC#CCC1
InChIInChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h9H,2,4,6-8H2,1H3
InChIKeyUSSCSJLVBNQFJF-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.59
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

ethane;propane;propylcyclopropane
CID 145406182
formaldehyde;propylcyclohexane
CID 174845889
1,4-dipropylcyclohexane;pentane
CID 90867354
propylcyclotetradecane
CID 90991550
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
methylidene-(4-propylcyclohexyl)-λ3-iodane
CID 163994299
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
(1R,8S)-9-methylbicyclo[6.1.0]non-4-yne;propane
CID 161218394
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
4-propyl-4,5-dihydro-3H-pyrazole
CID 123289792
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexyne?
The IUPAC name of 4-propylcyclohexyne (CID 152972244) is 4-propylcyclohexyne.
What is the SMILES notation for 4-propylcyclohexyne?
The canonical SMILES for 4-propylcyclohexyne is CCCC1CC#CCC1.
What is the InChIKey of 4-propylcyclohexyne?
The InChIKey is USSCSJLVBNQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h9H,2,4,6-8H2,1H3.
What are the key properties of 4-propylcyclohexyne?
4-propylcyclohexyne has a molecular weight of 122.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexyne is sourced from PubChem (CID 152972244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).