acetylene;1-methyl-2-propylcyclopropane;propane

C12H24 — CID 173373842

IUPACacetylene;1-methyl-2-propylcyclopropane;propane
SMILESC#C.CCC.CCCC1CC1C
InChIInChI=1S/C7H14.C3H8.C2H2/c1-3-4-7-5-6(7)2;1-3-2;1-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3;1-2H
InChIKeyWJSXFXAXEVLFCY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.11
Rot. Bonds2

About acetylene;1-methyl-2-propylcyclopropane;propane

acetylene;1-methyl-2-propylcyclopropane;propane (PubChem CID 173373842) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is acetylene;1-methyl-2-propylcyclopropane;propane.

Molecular Properties

Compound Nameacetylene;1-methyl-2-propylcyclopropane;propane
PubChem CID173373842
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameacetylene;1-methyl-2-propylcyclopropane;propane
SMILESC#C.CCC.CCCC1CC1C
InChIInChI=1S/C7H14.C3H8.C2H2/c1-3-4-7-5-6(7)2;1-3-2;1-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3;1-2H
InChIKeyWJSXFXAXEVLFCY-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze acetylene;1-methyl-2-propylcyclopropane;propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;1-methyl-2-propylcyclopropane;propane?
The IUPAC name of acetylene;1-methyl-2-propylcyclopropane;propane (CID 173373842) is acetylene;1-methyl-2-propylcyclopropane;propane.
What is the SMILES notation for acetylene;1-methyl-2-propylcyclopropane;propane?
The canonical SMILES for acetylene;1-methyl-2-propylcyclopropane;propane is C#C.CCC.CCCC1CC1C.
What is the InChIKey of acetylene;1-methyl-2-propylcyclopropane;propane?
The InChIKey is WJSXFXAXEVLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C3H8.C2H2/c1-3-4-7-5-6(7)2;1-3-2;1-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3;1-2H.
What are the key properties of acetylene;1-methyl-2-propylcyclopropane;propane?
acetylene;1-methyl-2-propylcyclopropane;propane has a molecular weight of 168.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-methyl-2-propylcyclopropane;propane is sourced from PubChem (CID 173373842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).