acetylene;1-cyclohexylethanone;prop-1-yne

C13H20O — CID 143179551

IUPACacetylene;1-cyclohexylethanone;prop-1-yne
SMILESC#C.C#CC.CC(=O)C1CCCCC1
InChIInChI=1S/C8H14O.C3H4.C2H2/c1-7(9)8-5-3-2-4-6-8;1-3-2;1-2/h8H,2-6H2,1H3;1H,2H3;1-2H
InChIKeyNIMAMLLQZCPBCV-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.04
Rot. Bonds1

About acetylene;1-cyclohexylethanone;prop-1-yne

acetylene;1-cyclohexylethanone;prop-1-yne (PubChem CID 143179551) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is acetylene;1-cyclohexylethanone;prop-1-yne.

Molecular Properties

Compound Nameacetylene;1-cyclohexylethanone;prop-1-yne
PubChem CID143179551
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameacetylene;1-cyclohexylethanone;prop-1-yne
SMILESC#C.C#CC.CC(=O)C1CCCCC1
InChIInChI=1S/C8H14O.C3H4.C2H2/c1-7(9)8-5-3-2-4-6-8;1-3-2;1-2/h8H,2-6H2,1H3;1H,2H3;1-2H
InChIKeyNIMAMLLQZCPBCV-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;1-cyclohexylethanone;prop-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentylethanone;propane
CID 145026358
CID 88741399
CID 88741399
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
1-cyclohexylethanone;dioxathiirane 3,3-dioxide
CID 71436930
CID 59303606
CID 59303606
carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
CID 23232725
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
1-cyclohexylethanone;1,3-dicyclohexylbutan-1-one
CID 163526339
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
acetyl chloride;cycloheptane;cycloheptanecarboxylic acid
CID 157332858
3-cycloheptylbut-3-en-2-one
CID 89298761

Frequently Asked Questions

What is the IUPAC name of acetylene;1-cyclohexylethanone;prop-1-yne?
The IUPAC name of acetylene;1-cyclohexylethanone;prop-1-yne (CID 143179551) is acetylene;1-cyclohexylethanone;prop-1-yne.
What is the SMILES notation for acetylene;1-cyclohexylethanone;prop-1-yne?
The canonical SMILES for acetylene;1-cyclohexylethanone;prop-1-yne is C#C.C#CC.CC(=O)C1CCCCC1.
What is the InChIKey of acetylene;1-cyclohexylethanone;prop-1-yne?
The InChIKey is NIMAMLLQZCPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C3H4.C2H2/c1-7(9)8-5-3-2-4-6-8;1-3-2;1-2/h8H,2-6H2,1H3;1H,2H3;1-2H.
What are the key properties of acetylene;1-cyclohexylethanone;prop-1-yne?
acetylene;1-cyclohexylethanone;prop-1-yne has a molecular weight of 192.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-cyclohexylethanone;prop-1-yne is sourced from PubChem (CID 143179551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).