butane;2-methylprop-1-ene

C8H18 — CID 142050656

IUPACbutane;2-methylprop-1-ene
SMILESC=C(C)C.CCCC
InChIInChI=1S/C4H8.C4H10/c1-4(2)3;1-3-4-2/h1H2,2-3H3;3-4H2,1-2H3
InChIKeyZOJPPDGPQOHPKT-UHFFFAOYSA-N
MW114.23 g/mol
LogP3.39
Rot. Bonds1

About butane;2-methylprop-1-ene

butane;2-methylprop-1-ene (PubChem CID 142050656) has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is butane;2-methylprop-1-ene.

Molecular Properties

Compound Namebutane;2-methylprop-1-ene
PubChem CID142050656
Molecular FormulaC8H18
Molecular Weight114.23 g/mol
Exact Mass114.14
IUPAC Namebutane;2-methylprop-1-ene
SMILESC=C(C)C.CCCC
InChIInChI=1S/C4H8.C4H10/c1-4(2)3;1-3-4-2/h1H2,2-3H3;3-4H2,1-2H3
InChIKeyZOJPPDGPQOHPKT-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;2-methylprop-1-ene?
The IUPAC name of butane;2-methylprop-1-ene (CID 142050656) is butane;2-methylprop-1-ene.
What is the SMILES notation for butane;2-methylprop-1-ene?
The canonical SMILES for butane;2-methylprop-1-ene is C=C(C)C.CCCC.
What is the InChIKey of butane;2-methylprop-1-ene?
The InChIKey is ZOJPPDGPQOHPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C4H10/c1-4(2)3;1-3-4-2/h1H2,2-3H3;3-4H2,1-2H3.
What are the key properties of butane;2-methylprop-1-ene?
butane;2-methylprop-1-ene has a molecular weight of 114.23 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methylprop-1-ene is sourced from PubChem (CID 142050656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).