1-ethynyl-1-methylcyclononane;methane

C13H24 — CID 158932279

IUPAC1-ethynyl-1-methylcyclononane;methane
SMILESC.C#CC1(C)CCCCCCCC1
InChIInChI=1S/C12H20.CH4/c1-3-12(2)10-8-6-4-5-7-9-11-12;/h1H,4-11H2,2H3;1H4
InChIKeyJJFFOLCWWWAVSH-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.40
Rot. Bonds

About 1-ethynyl-1-methylcyclononane;methane

1-ethynyl-1-methylcyclononane;methane (PubChem CID 158932279) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1-ethynyl-1-methylcyclononane;methane.

Molecular Properties

Compound Name1-ethynyl-1-methylcyclononane;methane
PubChem CID158932279
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name1-ethynyl-1-methylcyclononane;methane
SMILESC.C#CC1(C)CCCCCCCC1
InChIInChI=1S/C12H20.CH4/c1-3-12(2)10-8-6-4-5-7-9-11-12;/h1H,4-11H2,2H3;1H4
InChIKeyJJFFOLCWWWAVSH-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethynyl-1-methylcyclononane;methane 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

3,3,10,10-tetramethyldithiecane
CID 57298519
1-ethynylcyclohexan-1-ol;platinum(2+)
CID 23175181
1,1-dimethylcyclohexane;methane
CID 160770296
1-bromo-1-ethynylcyclohexane
CID 12617762
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
acetylene;1-methylcyclohexan-1-ol
CID 142432034
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
azane;1,1-dimethylcyclohexane
CID 90411117
1-ethynyl-1-methylsulfonylcyclobutane
CID 155977808
1-methyl-1-thiophosphorosocyclohexane
CID 23117463
1-(1-methylcyclohexyl)but-3-yn-1-amine
CID 106829766

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-1-methylcyclononane;methane?
The IUPAC name of 1-ethynyl-1-methylcyclononane;methane (CID 158932279) is 1-ethynyl-1-methylcyclononane;methane.
What is the SMILES notation for 1-ethynyl-1-methylcyclononane;methane?
The canonical SMILES for 1-ethynyl-1-methylcyclononane;methane is C.C#CC1(C)CCCCCCCC1.
What is the InChIKey of 1-ethynyl-1-methylcyclononane;methane?
The InChIKey is JJFFOLCWWWAVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.CH4/c1-3-12(2)10-8-6-4-5-7-9-11-12;/h1H,4-11H2,2H3;1H4.
What are the key properties of 1-ethynyl-1-methylcyclononane;methane?
1-ethynyl-1-methylcyclononane;methane has a molecular weight of 180.34 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-1-methylcyclononane;methane is sourced from PubChem (CID 158932279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).