butane;ethane;2-methylbut-1-ene

C15H38 — CID 142050807

IUPACbutane;ethane;2-methylbut-1-ene
SMILESC=C(C)CC.CC.CC.CC.CCCC
InChIInChI=1S/C5H10.C4H10.3C2H6/c1-4-5(2)3;1-3-4-2;3*1-2/h2,4H2,1,3H3;3-4H2,1-2H3;3*1-2H3
InChIKeyNRVFOROZWRAILI-UHFFFAOYSA-N
MW218.47 g/mol
LogP6.86
Rot. Bonds2

About butane;ethane;2-methylbut-1-ene

butane;ethane;2-methylbut-1-ene (PubChem CID 142050807) has the molecular formula C15H38 and a molecular weight of 218.47 g/mol. Its IUPAC name is butane;ethane;2-methylbut-1-ene.

Molecular Properties

Compound Namebutane;ethane;2-methylbut-1-ene
PubChem CID142050807
Molecular FormulaC15H38
Molecular Weight218.47 g/mol
Exact Mass218.30
IUPAC Namebutane;ethane;2-methylbut-1-ene
SMILESC=C(C)CC.CC.CC.CC.CCCC
InChIInChI=1S/C5H10.C4H10.3C2H6/c1-4-5(2)3;1-3-4-2;3*1-2/h2,4H2,1,3H3;3-4H2,1-2H3;3*1-2H3
InChIKeyNRVFOROZWRAILI-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.47
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;bis(2-methylbut-1-ene)
CID 160529780
butane;ethane;2-methylprop-1-ene
CID 142168819
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
but-2-ene;2-methylbut-1-ene
CID 160732246
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
CID 145442822
but-1-ene;2-methylbut-1-ene
CID 90770104
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
CID 171375325
CID 171375325
hex-1-ene;2-methylbut-1-ene
CID 172686626

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methylbut-1-ene?
The IUPAC name of butane;ethane;2-methylbut-1-ene (CID 142050807) is butane;ethane;2-methylbut-1-ene.
What is the SMILES notation for butane;ethane;2-methylbut-1-ene?
The canonical SMILES for butane;ethane;2-methylbut-1-ene is C=C(C)CC.CC.CC.CC.CCCC.
What is the InChIKey of butane;ethane;2-methylbut-1-ene?
The InChIKey is NRVFOROZWRAILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H10.3C2H6/c1-4-5(2)3;1-3-4-2;3*1-2/h2,4H2,1,3H3;3-4H2,1-2H3;3*1-2H3.
What are the key properties of butane;ethane;2-methylbut-1-ene?
butane;ethane;2-methylbut-1-ene has a molecular weight of 218.47 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methylbut-1-ene is sourced from PubChem (CID 142050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).