butane;ethane;2-methylprop-1-ene

C12H30 — CID 142168819

IUPACbutane;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CCCC
InChIInChI=1S/C4H8.C4H10.2C2H6/c1-4(2)3;1-3-4-2;2*1-2/h1H2,2-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyGITOJDIWQZJGJF-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.44
Rot. Bonds1

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

butane;ethane;2-methylprop-1-ene (PubChem CID 142168819) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is butane;ethane;2-methylprop-1-ene.

Molecular Properties

Compound Namebutane;ethane;2-methylprop-1-ene
PubChem CID142168819
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Namebutane;ethane;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CCCC
InChIInChI=1S/C4H8.C4H10.2C2H6/c1-4(2)3;1-3-4-2;2*1-2/h1H2,2-3H3;3-4H2,1-2H3;2*1-2H3
InChIKeyGITOJDIWQZJGJF-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.37
LogP ≤ 55.44
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;ethane;2-methylbut-1-ene
CID 142050807
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
bis(2-methylprop-1-ene);propane
CID 159493997
ethane;tris(2-methylprop-1-ene)
CID 144520420
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
CID 171375325
CID 171375325
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
butane;2-methylbut-1-en-3-yne
CID 145419919
heptan-4-imine;2-methylprop-1-ene
CID 175527412
butane;ethane;methane
CID 162200509
CID 169430064
CID 169430064
methane;tetrakis(2-methylprop-1-ene)
CID 159196476

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methylprop-1-ene?
The IUPAC name of butane;ethane;2-methylprop-1-ene (CID 142168819) is butane;ethane;2-methylprop-1-ene.
What is the SMILES notation for butane;ethane;2-methylprop-1-ene?
The canonical SMILES for butane;ethane;2-methylprop-1-ene is C=C(C)C.CC.CC.CCCC.
What is the InChIKey of butane;ethane;2-methylprop-1-ene?
The InChIKey is GITOJDIWQZJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C4H10.2C2H6/c1-4(2)3;1-3-4-2;2*1-2/h1H2,2-3H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;2-methylprop-1-ene?
butane;ethane;2-methylprop-1-ene has a molecular weight of 174.37 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methylprop-1-ene is sourced from PubChem (CID 142168819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).