butane;bis(but-1-ene)

C12H26 — CID 160596310

IUPACbutane;bis(but-1-ene)
SMILESC=CCC.C=CCC.CCCC
InChIInChI=1S/C4H10.2C4H8/c3*1-3-4-2/h3-4H2,1-2H3;2*3H,1,4H2,2H3
InChIKeyRDRJFJJQBLWYSH-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.97
Rot. Bonds3

About butane;bis(but-1-ene)

butane;bis(but-1-ene) (PubChem CID 160596310) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is butane;bis(but-1-ene).

Molecular Properties

Compound Namebutane;bis(but-1-ene)
PubChem CID160596310
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namebutane;bis(but-1-ene)
SMILESC=CCC.C=CCC.CCCC
InChIInChI=1S/C4H10.2C4H8/c3*1-3-4-2/h3-4H2,1-2H3;2*3H,1,4H2,2H3
InChIKeyRDRJFJJQBLWYSH-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
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;but-1-ene;ethane;methanamine
CID 145230806
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
but-1-ene;methanethiol
CID 174505705
but-1-ene;ethane;pentane
CID 142205498
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;formonitrile
CID 175774246
but-1-ene;ethene;pent-1-ene
CID 140771113
but-1-ene;ethane;nonane
CID 170645806
but-1-ene;trimethoxysilane
CID 162022508
but-1-ene;tetrakis(hex-1-ene)
CID 22000755

Frequently Asked Questions

What is the IUPAC name of butane;bis(but-1-ene)?
The IUPAC name of butane;bis(but-1-ene) (CID 160596310) is butane;bis(but-1-ene).
What is the SMILES notation for butane;bis(but-1-ene)?
The canonical SMILES for butane;bis(but-1-ene) is C=CCC.C=CCC.CCCC.
What is the InChIKey of butane;bis(but-1-ene)?
The InChIKey is RDRJFJJQBLWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2C4H8/c3*1-3-4-2/h3-4H2,1-2H3;2*3H,1,4H2,2H3.
What are the key properties of butane;bis(but-1-ene)?
butane;bis(but-1-ene) has a molecular weight of 170.34 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(but-1-ene) is sourced from PubChem (CID 160596310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).