but-2-yne;ethane;2-methylpropane

C10H22 — CID 144864902

IUPACbut-2-yne;ethane;2-methylpropane
SMILESCC.CC#CC.CC(C)C
InChIInChI=1S/C4H10.C4H6.C2H6/c1-4(2)3;1-3-4-2;1-2/h4H,1-3H3;1-2H3;1-2H3
InChIKeyZFIPDPVLMOEROY-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.72
Rot. Bonds

About but-2-yne;ethane;2-methylpropane

but-2-yne;ethane;2-methylpropane (PubChem CID 144864902) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is but-2-yne;ethane;2-methylpropane.

Molecular Properties

Compound Namebut-2-yne;ethane;2-methylpropane
PubChem CID144864902
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Namebut-2-yne;ethane;2-methylpropane
SMILESCC.CC#CC.CC(C)C
InChIInChI=1S/C4H10.C4H6.C2H6/c1-4(2)3;1-3-4-2;1-2/h4H,1-3H3;1-2H3;1-2H3
InChIKeyZFIPDPVLMOEROY-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.72
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

3-Hexyne, 2,5-dimethyl-
CID 136716
3-Octyne, 2-methyl-
CID 316589
3-Hexyne, 2,2,5-trimethyl
CID 529291
3,6-Dimethyl-4-octyne
CID 13485082
3-Heptyne, 2,6-dimethyl-
CID 519669
3-Heptyne, 2-methyl
CID 529287
4-Octyne, 2,7-dimethyl
CID 529294
2,7-Dimethyl-octa-3,5-diyne
CID 15641370
2,6-Dimethyl-4-octyne
CID 24977152
2-Methyl-4-octyne
CID 548928
Trimethyl(3-methylbut-1-ynyl)stannane
CID 14959223
Trimethyl(5-methylhex-3-yn-2-yl)stannane
CID 86186063

Frequently Asked Questions

What is the IUPAC name of but-2-yne;ethane;2-methylpropane?
The IUPAC name of but-2-yne;ethane;2-methylpropane (CID 144864902) is but-2-yne;ethane;2-methylpropane.
What is the SMILES notation for but-2-yne;ethane;2-methylpropane?
The canonical SMILES for but-2-yne;ethane;2-methylpropane is CC.CC#CC.CC(C)C.
What is the InChIKey of but-2-yne;ethane;2-methylpropane?
The InChIKey is ZFIPDPVLMOEROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C4H6.C2H6/c1-4(2)3;1-3-4-2;1-2/h4H,1-3H3;1-2H3;1-2H3.
What are the key properties of but-2-yne;ethane;2-methylpropane?
but-2-yne;ethane;2-methylpropane has a molecular weight of 142.29 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;ethane;2-methylpropane is sourced from PubChem (CID 144864902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).