but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane

C19H46 — CID 159620632

IUPACbut-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane
SMILESC.C.C.C.CC#CC.CC(C)(C)C.CC(C)=C(C)C
InChIInChI=1S/C6H12.C5H12.C4H6.4CH4/c1-5(2)6(3)4;1-5(2,3)4;1-3-4-2;;;;/h1-4H3;1-4H3;1-2H3;4*1H4
InChIKeyMNVJKXJUCRTQGQ-UHFFFAOYSA-N
MW274.58 g/mol
LogP7.99
Rot. Bonds

About but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane

but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane (PubChem CID 159620632) has the molecular formula C19H46 and a molecular weight of 274.58 g/mol. Its IUPAC name is but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane.

Molecular Properties

Compound Namebut-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane
PubChem CID159620632
Molecular FormulaC19H46
Molecular Weight274.58 g/mol
Exact Mass274.36
IUPAC Namebut-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane
SMILESC.C.C.C.CC#CC.CC(C)(C)C.CC(C)=C(C)C
InChIInChI=1S/C6H12.C5H12.C4H6.4CH4/c1-5(2)6(3)4;1-5(2,3)4;1-3-4-2;;;;/h1-4H3;1-4H3;1-2H3;4*1H4
InChIKeyMNVJKXJUCRTQGQ-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.58
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dimethylbut-2-ene);methane
CID 162234102
but-2-yne;methane
CID 165057391
tris(but-2-yne);methane;heptadecakis(vanadium)
CID 160682920
2,2-dimethylpropane;ethane;methane
CID 157153388
bis(2,2-dimethylpropane);ethane;methane
CID 161072251
but-2-yne;dihydrochloride
CID 139998680
but-2-yne;ethane
CID 144521092
2,3-dimethylbut-2-ene;phosphane
CID 159112773
3,3-dimethylhex-4-yn-2-one
CID 20642845
methane;2-methylpropan-2-ol
CID 157161859
2,3-dimethylhex-4-yn-3-yl acetate
CID 2753160
benzene;but-2-yne;ethane;propan-2-one
CID 160679737

Frequently Asked Questions

What is the IUPAC name of but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?
The IUPAC name of but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane (CID 159620632) is but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane.
What is the SMILES notation for but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?
The canonical SMILES for but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane is C.C.C.C.CC#CC.CC(C)(C)C.CC(C)=C(C)C.
What is the InChIKey of but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?
The InChIKey is MNVJKXJUCRTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H12.C4H6.4CH4/c1-5(2)6(3)4;1-5(2,3)4;1-3-4-2;;;;/h1-4H3;1-4H3;1-2H3;4*1H4.
What are the key properties of but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?
but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane has a molecular weight of 274.58 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane is sourced from PubChem (CID 159620632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).