bis(but-1-ene);tetrakis(2-methylpent-2-ene)

C32H64 — CID 158752842

IUPACbis(but-1-ene);tetrakis(2-methylpent-2-ene)
SMILESC=CCC.C=CCC.CCC=C(C)C.CCC=C(C)C.CCC=C(C)C.CCC=C(C)C
InChIInChI=1S/4C6H12.2C4H8/c4*1-4-5-6(2)3;2*1-3-4-2/h4*5H,4H2,1-3H3;2*3H,1,4H2,2H3
InChIKeyINRSBOGCKNSAIT-UHFFFAOYSA-N
MW448.86 g/mol
LogP12.62
Rot. Bonds6

About bis(but-1-ene);tetrakis(2-methylpent-2-ene)

bis(but-1-ene);tetrakis(2-methylpent-2-ene) (PubChem CID 158752842) has the molecular formula C32H64 and a molecular weight of 448.86 g/mol. Its IUPAC name is bis(but-1-ene);tetrakis(2-methylpent-2-ene).

Molecular Properties

Compound Namebis(but-1-ene);tetrakis(2-methylpent-2-ene)
PubChem CID158752842
Molecular FormulaC32H64
Molecular Weight448.86 g/mol
Exact Mass448.50
IUPAC Namebis(but-1-ene);tetrakis(2-methylpent-2-ene)
SMILESC=CCC.C=CCC.CCC=C(C)C.CCC=C(C)C.CCC=C(C)C.CCC=C(C)C
InChIInChI=1S/4C6H12.2C4H8/c4*1-4-5-6(2)3;2*1-3-4-2/h4*5H,4H2,1-3H3;2*3H,1,4H2,2H3
InChIKeyINRSBOGCKNSAIT-UHFFFAOYSA-N
XLogP12.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 512.62
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

tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
CID 160606549
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
carbon dioxide;2-methylpent-2-ene
CID 174340897
but-1-ene;propane;propan-2-imine
CID 142132496
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
but-1-ene;2-methylbut-1-ene
CID 90770104
acetic acid;but-1-ene
CID 88520349
but-1-ene;ethane;(3E)-hexa-1,3-dien-3-ol
CID 143333385
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310

Frequently Asked Questions

What is the IUPAC name of bis(but-1-ene);tetrakis(2-methylpent-2-ene)?
The IUPAC name of bis(but-1-ene);tetrakis(2-methylpent-2-ene) (CID 158752842) is bis(but-1-ene);tetrakis(2-methylpent-2-ene).
What is the SMILES notation for bis(but-1-ene);tetrakis(2-methylpent-2-ene)?
The canonical SMILES for bis(but-1-ene);tetrakis(2-methylpent-2-ene) is C=CCC.C=CCC.CCC=C(C)C.CCC=C(C)C.CCC=C(C)C.CCC=C(C)C.
What is the InChIKey of bis(but-1-ene);tetrakis(2-methylpent-2-ene)?
The InChIKey is INRSBOGCKNSAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H12.2C4H8/c4*1-4-5-6(2)3;2*1-3-4-2/h4*5H,4H2,1-3H3;2*3H,1,4H2,2H3.
What are the key properties of bis(but-1-ene);tetrakis(2-methylpent-2-ene)?
bis(but-1-ene);tetrakis(2-methylpent-2-ene) has a molecular weight of 448.86 g/mol, XLogP of 12.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-1-ene);tetrakis(2-methylpent-2-ene) is sourced from PubChem (CID 158752842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).