bis(but-2-yne);ethane;2-methylbutane

C15H30 — CID 144516003

IUPACbis(but-2-yne);ethane;2-methylbutane
SMILESCC.CC#CC.CC#CC.CCC(C)C
InChIInChI=1S/C5H12.2C4H6.C2H6/c1-4-5(2)3;2*1-3-4-2;1-2/h5H,4H2,1-3H3;2*1-2H3;1-2H3
InChIKeyFDWRQVXDXMKKJB-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.14
Rot. Bonds1

About bis(but-2-yne);ethane;2-methylbutane

bis(but-2-yne);ethane;2-methylbutane (PubChem CID 144516003) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is bis(but-2-yne);ethane;2-methylbutane.

Molecular Properties

Compound Namebis(but-2-yne);ethane;2-methylbutane
PubChem CID144516003
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Namebis(but-2-yne);ethane;2-methylbutane
SMILESCC.CC#CC.CC#CC.CCC(C)C
InChIInChI=1S/C5H12.2C4H6.C2H6/c1-4-5(2)3;2*1-3-4-2;1-2/h5H,4H2,1-3H3;2*1-2H3;1-2H3
InChIKeyFDWRQVXDXMKKJB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(but-2-yne);ethane;2-methylbutane 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

CID 164983427
CID 164983427
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
ethane;methane;2-methylbutane;propane
CID 162144061
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
but-2-yne;ethane;2-methylpropane
CID 144864902
ethane;ethene;2-methylbutane;propane
CID 142006499
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110
butane;ethane;methanol;2-methylbutane
CID 170758487
2-methylbutane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
CID 159623908
but-2-yne;ethane
CID 144521092

Frequently Asked Questions

What is the IUPAC name of bis(but-2-yne);ethane;2-methylbutane?
The IUPAC name of bis(but-2-yne);ethane;2-methylbutane (CID 144516003) is bis(but-2-yne);ethane;2-methylbutane.
What is the SMILES notation for bis(but-2-yne);ethane;2-methylbutane?
The canonical SMILES for bis(but-2-yne);ethane;2-methylbutane is CC.CC#CC.CC#CC.CCC(C)C.
What is the InChIKey of bis(but-2-yne);ethane;2-methylbutane?
The InChIKey is FDWRQVXDXMKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C4H6.C2H6/c1-4-5(2)3;2*1-3-4-2;1-2/h5H,4H2,1-3H3;2*1-2H3;1-2H3.
What are the key properties of bis(but-2-yne);ethane;2-methylbutane?
bis(but-2-yne);ethane;2-methylbutane has a molecular weight of 210.40 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-2-yne);ethane;2-methylbutane is sourced from PubChem (CID 144516003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).