butane;but-2-ene;methane

C16H44 — CID 161391432

IUPACbutane;but-2-ene;methane
SMILESC.C.C.C.CC=CC.CCCC.CCCC
InChIInChI=1S/2C4H10.C4H8.4CH4/c3*1-3-4-2;;;;/h2*3-4H2,1-2H3;3-4H,1-2H3;4*1H4
InChIKeyVTAQGOGBGJAYBY-UHFFFAOYSA-N
MW236.53 g/mol
LogP7.74
Rot. Bonds2

About butane;but-2-ene;methane

butane;but-2-ene;methane (PubChem CID 161391432) has the molecular formula C16H44 and a molecular weight of 236.53 g/mol. Its IUPAC name is butane;but-2-ene;methane.

Molecular Properties

Compound Namebutane;but-2-ene;methane
PubChem CID161391432
Molecular FormulaC16H44
Molecular Weight236.53 g/mol
Exact Mass236.34
IUPAC Namebutane;but-2-ene;methane
SMILESC.C.C.C.CC=CC.CCCC.CCCC
InChIInChI=1S/2C4H10.C4H8.4CH4/c3*1-3-4-2;;;;/h2*3-4H2,1-2H3;3-4H,1-2H3;4*1H4
InChIKeyVTAQGOGBGJAYBY-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.53
LogP ≤ 57.74
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;but-2-ene;methane?
The IUPAC name of butane;but-2-ene;methane (CID 161391432) is butane;but-2-ene;methane.
What is the SMILES notation for butane;but-2-ene;methane?
The canonical SMILES for butane;but-2-ene;methane is C.C.C.C.CC=CC.CCCC.CCCC.
What is the InChIKey of butane;but-2-ene;methane?
The InChIKey is VTAQGOGBGJAYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.C4H8.4CH4/c3*1-3-4-2;;;;/h2*3-4H2,1-2H3;3-4H,1-2H3;4*1H4.
What are the key properties of butane;but-2-ene;methane?
butane;but-2-ene;methane has a molecular weight of 236.53 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-2-ene;methane is sourced from PubChem (CID 161391432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).