butane;ethene;methane;pentane

C12H26 — CID 159552112

IUPACbutane;ethene;methane;pentane
SMILESC.C=C.[CH2+]CCC[CH2-].[CH2+]CC[CH2-]
InChIInChI=1S/C5H10.C4H8.C2H4.CH4/c1-3-5-4-2;1-3-4-2;1-2;/h1-5H2;1-4H2;1-2H2;1H4
InChIKeyMFNHPWHTNVPYMN-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.70
Rot. Bonds3

About butane;ethene;methane;pentane

butane;ethene;methane;pentane (PubChem CID 159552112) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is butane;ethene;methane;pentane.

Molecular Properties

Compound Namebutane;ethene;methane;pentane
PubChem CID159552112
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namebutane;ethene;methane;pentane
SMILESC.C=C.[CH2+]CCC[CH2-].[CH2+]CC[CH2-]
InChIInChI=1S/C5H10.C4H8.C2H4.CH4/c1-3-5-4-2;1-3-4-2;1-2;/h1-5H2;1-4H2;1-2H2;1H4
InChIKeyMFNHPWHTNVPYMN-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethene;methane;pentane?
The IUPAC name of butane;ethene;methane;pentane (CID 159552112) is butane;ethene;methane;pentane.
What is the SMILES notation for butane;ethene;methane;pentane?
The canonical SMILES for butane;ethene;methane;pentane is C.C=C.[CH2+]CCC[CH2-].[CH2+]CC[CH2-].
What is the InChIKey of butane;ethene;methane;pentane?
The InChIKey is MFNHPWHTNVPYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H8.C2H4.CH4/c1-3-5-4-2;1-3-4-2;1-2;/h1-5H2;1-4H2;1-2H2;1H4.
What are the key properties of butane;ethene;methane;pentane?
butane;ethene;methane;pentane has a molecular weight of 170.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethene;methane;pentane is sourced from PubChem (CID 159552112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).