but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane

C23H44 — CID 160779523

IUPACbut-2-yne;bis(cyclopenta-1,3-diene);ethane;propane
SMILESC1=CCC=C1.C1=CCC=C1.CC.CC.CC.CC#CC.CCC
InChIInChI=1S/2C5H6.C4H6.C3H8.3C2H6/c2*1-2-4-5-3-1;1-3-4-2;1-3-2;3*1-2/h2*1-4H,5H2;1-2H3;3H2,1-2H3;3*1-2H3
InChIKeySAJTVYGGLXZIHH-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.53
Rot. Bonds

About but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane

but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane (PubChem CID 160779523) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane.

Molecular Properties

Compound Namebut-2-yne;bis(cyclopenta-1,3-diene);ethane;propane
PubChem CID160779523
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Namebut-2-yne;bis(cyclopenta-1,3-diene);ethane;propane
SMILESC1=CCC=C1.C1=CCC=C1.CC.CC.CC.CC#CC.CCC
InChIInChI=1S/2C5H6.C4H6.C3H8.3C2H6/c2*1-2-4-5-3-1;1-3-4-2;1-3-2;3*1-2/h2*1-4H,5H2;1-2H3;3H2,1-2H3;3*1-2H3
InChIKeySAJTVYGGLXZIHH-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane 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

nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
CID 157111538
cyclohexa-1,4-diene;ethane;propane
CID 158923317
benzene;cyclopenta-1,3-diene;ethane;bis(pentane);propane
CID 162102080
CID 169431670
CID 169431670
CID 159914814
CID 159914814
bis(cyclopenta-1,3-diene);hydride;tungsten(2+)
CID 175878705
cyclopenta-1,3-diene
CID 159248657
cyclopenta-1,3-diene;ethoxyethane
CID 67913877
cyclopenta-1,3-diene;indigane;triethylgermane
CID 175188989
cyclopenta-1,3-diene;N-ethylethanamine;titanium
CID 175307434
cyclopenta-1,3-diene;phosphane
CID 159117413
bis(cyclopenta-1,3-diene);praseodymium
CID 175134438

Frequently Asked Questions

What is the IUPAC name of but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane?
The IUPAC name of but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane (CID 160779523) is but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane.
What is the SMILES notation for but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane?
The canonical SMILES for but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane is C1=CCC=C1.C1=CCC=C1.CC.CC.CC.CC#CC.CCC.
What is the InChIKey of but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane?
The InChIKey is SAJTVYGGLXZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6.C4H6.C3H8.3C2H6/c2*1-2-4-5-3-1;1-3-4-2;1-3-2;3*1-2/h2*1-4H,5H2;1-2H3;3H2,1-2H3;3*1-2H3.
What are the key properties of but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane?
but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane has a molecular weight of 320.61 g/mol, XLogP of 8.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;bis(cyclopenta-1,3-diene);ethane;propane is sourced from PubChem (CID 160779523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).