tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene

C40H80 — CID 160606549

IUPACtris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCC.C=CCC.C=CCC.CCC=C(C)C.CCC=CCC.CCC=CCC.CCC=CCC
InChIInChI=1S/4C6H12.4C4H8/c1-4-5-6(2)3;3*1-3-5-6-4-2;1-4(2)3;3*1-3-4-2/h5H,4H2,1-3H3;3*5-6H,3-4H2,1-2H3;1H2,2-3H3;3*3H,1,4H2,2H3
InChIKeyREYGDGXCKVWVFR-UHFFFAOYSA-N
MW561.08 g/mol
LogP15.78
Rot. Bonds10

About tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene

tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene (PubChem CID 160606549) has the molecular formula C40H80 and a molecular weight of 561.08 g/mol. Its IUPAC name is tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene.

Molecular Properties

Compound Nametris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
PubChem CID160606549
Molecular FormulaC40H80
Molecular Weight561.08 g/mol
Exact Mass560.63
IUPAC Nametris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene
SMILESC=C(C)C.C=CCC.C=CCC.C=CCC.CCC=C(C)C.CCC=CCC.CCC=CCC.CCC=CCC
InChIInChI=1S/4C6H12.4C4H8/c1-4-5-6(2)3;3*1-3-5-6-4-2;1-4(2)3;3*1-3-4-2/h5H,4H2,1-3H3;3*5-6H,3-4H2,1-2H3;1H2,2-3H3;3*3H,1,4H2,2H3
InChIKeyREYGDGXCKVWVFR-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.08
LogP ≤ 515.78
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

bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
but-1-ene;2-methylbut-1-ene
CID 90770104
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
carbon dioxide;2-methylpent-2-ene
CID 174340897
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
but-1-ene;propane;propan-2-imine
CID 142132496
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;(Z)-pent-2-ene
CID 156866422
acetic acid;but-1-ene
CID 88520349

Frequently Asked Questions

What is the IUPAC name of tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene?
The IUPAC name of tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene (CID 160606549) is tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene.
What is the SMILES notation for tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene?
The canonical SMILES for tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene is C=C(C)C.C=CCC.C=CCC.C=CCC.CCC=C(C)C.CCC=CCC.CCC=CCC.CCC=CCC.
What is the InChIKey of tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene?
The InChIKey is REYGDGXCKVWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H12.4C4H8/c1-4-5-6(2)3;3*1-3-5-6-4-2;1-4(2)3;3*1-3-4-2/h5H,4H2,1-3H3;3*5-6H,3-4H2,1-2H3;1H2,2-3H3;3*3H,1,4H2,2H3.
What are the key properties of tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene?
tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene has a molecular weight of 561.08 g/mol, XLogP of 15.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(but-1-ene);tris(hex-3-ene);2-methylpent-2-ene;2-methylprop-1-ene is sourced from PubChem (CID 160606549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).