butane;but-2-yne;ethane;2-methylpropane;prop-1-yne

C23H54 — CID 142057293

IUPACbutane;but-2-yne;ethane;2-methylpropane;prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CC#CC.CC(C)C.CCCC
InChIInChI=1S/2C4H10.C4H6.C3H4.4C2H6/c1-4(2)3;2*1-3-4-2;1-3-2;4*1-2/h4H,1-3H3;3-4H2,1-2H3;1-2H3;1H,2H3;4*1-2H3
InChIKeyZHVMEPZGPRGMOF-UHFFFAOYSA-N
MW330.69 g/mol
LogP9.24
Rot. Bonds1

About butane;but-2-yne;ethane;2-methylpropane;prop-1-yne

butane;but-2-yne;ethane;2-methylpropane;prop-1-yne (PubChem CID 142057293) has the molecular formula C23H54 and a molecular weight of 330.69 g/mol. Its IUPAC name is butane;but-2-yne;ethane;2-methylpropane;prop-1-yne.

Molecular Properties

Compound Namebutane;but-2-yne;ethane;2-methylpropane;prop-1-yne
PubChem CID142057293
Molecular FormulaC23H54
Molecular Weight330.69 g/mol
Exact Mass330.42
IUPAC Namebutane;but-2-yne;ethane;2-methylpropane;prop-1-yne
SMILESC#CC.CC.CC.CC.CC.CC#CC.CC(C)C.CCCC
InChIInChI=1S/2C4H10.C4H6.C3H4.4C2H6/c1-4(2)3;2*1-3-4-2;1-3-2;4*1-2/h4H,1-3H3;3-4H2,1-2H3;1-2H3;1H,2H3;4*1-2H3
InChIKeyZHVMEPZGPRGMOF-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.69
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tributyl(3-methylbut-1-yn-1-yl)stannane
CID 13830632
Ethane;propane;prop-1-yne
CID 141782354
Ethane;2-methylpropane;prop-1-yne
CID 142048678
Butane;ethane;prop-1-yne
CID 142051342
Butane;ethane;propane;prop-1-yne
CID 142054729
Ethane;3-methylpent-1-yne
CID 142058768
2-Methylpropane;propane;prop-1-yne
CID 142090542
Ethane;methylcyclopropane;propane;prop-1-yne
CID 142297906
Ethane;2-methylpropane;prop-1-yne
CID 143325746
Ethane;methane;prop-1-yne
CID 143333959
Acetylene;ethane;2-methylpropane;propane
CID 143337726
Ethane;bis(2-methylpropane);prop-1-yne
CID 143370220

Frequently Asked Questions

What is the IUPAC name of butane;but-2-yne;ethane;2-methylpropane;prop-1-yne?
The IUPAC name of butane;but-2-yne;ethane;2-methylpropane;prop-1-yne (CID 142057293) is butane;but-2-yne;ethane;2-methylpropane;prop-1-yne.
What is the SMILES notation for butane;but-2-yne;ethane;2-methylpropane;prop-1-yne?
The canonical SMILES for butane;but-2-yne;ethane;2-methylpropane;prop-1-yne is C#CC.CC.CC.CC.CC.CC#CC.CC(C)C.CCCC.
What is the InChIKey of butane;but-2-yne;ethane;2-methylpropane;prop-1-yne?
The InChIKey is ZHVMEPZGPRGMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.C4H6.C3H4.4C2H6/c1-4(2)3;2*1-3-4-2;1-3-2;4*1-2/h4H,1-3H3;3-4H2,1-2H3;1-2H3;1H,2H3;4*1-2H3.
What are the key properties of butane;but-2-yne;ethane;2-methylpropane;prop-1-yne?
butane;but-2-yne;ethane;2-methylpropane;prop-1-yne has a molecular weight of 330.69 g/mol, XLogP of 9.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-2-yne;ethane;2-methylpropane;prop-1-yne is sourced from PubChem (CID 142057293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).