butane;but-1-ene;2-methylprop-1-ene

C12H26 — CID 158176864

IUPACbutane;but-1-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCC.CCCC
InChIInChI=1S/C4H8.C4H10.C4H8/c1-4(2)3;2*1-3-4-2/h1H2,2-3H3;3-4H2,1-2H3;3H,1,4H2,2H3
InChIKeyFYCKPACHMBIGMO-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.97
Rot. Bonds2

About butane;but-1-ene;2-methylprop-1-ene

butane;but-1-ene;2-methylprop-1-ene (PubChem CID 158176864) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is butane;but-1-ene;2-methylprop-1-ene.

Molecular Properties

Compound Namebutane;but-1-ene;2-methylprop-1-ene
PubChem CID158176864
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namebutane;but-1-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCC.CCCC
InChIInChI=1S/C4H8.C4H10.C4H8/c1-4(2)3;2*1-3-4-2/h1H2,2-3H3;3-4H2,1-2H3;3H,1,4H2,2H3
InChIKeyFYCKPACHMBIGMO-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.97
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

butane;bis(but-1-ene)
CID 160596310
but-1-ene;2-methylbut-1-ene
CID 90770104
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
butane;ethane;2-methylprop-1-ene
CID 142168819
butane;but-1-ene;ethane;methanamine
CID 145230806
but-1-ene;propane;propan-2-imine
CID 142132496
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
acetic acid;but-1-ene
CID 88520349
tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
CID 160606549
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
but-1-ene;silyloxysilane
CID 174887933

Frequently Asked Questions

What is the IUPAC name of butane;but-1-ene;2-methylprop-1-ene?
The IUPAC name of butane;but-1-ene;2-methylprop-1-ene (CID 158176864) is butane;but-1-ene;2-methylprop-1-ene.
What is the SMILES notation for butane;but-1-ene;2-methylprop-1-ene?
The canonical SMILES for butane;but-1-ene;2-methylprop-1-ene is C=C(C)C.C=CCC.CCCC.
What is the InChIKey of butane;but-1-ene;2-methylprop-1-ene?
The InChIKey is FYCKPACHMBIGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C4H10.C4H8/c1-4(2)3;2*1-3-4-2/h1H2,2-3H3;3-4H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of butane;but-1-ene;2-methylprop-1-ene?
butane;but-1-ene;2-methylprop-1-ene has a molecular weight of 170.34 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-1-ene;2-methylprop-1-ene is sourced from PubChem (CID 158176864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).