bis(2-methylprop-1-ene);propane

C26H64 — CID 159493997

IUPACbis(2-methylprop-1-ene);propane
SMILESC=C(C)C.C=C(C)C.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C4H8.6C3H8/c2*1-4(2)3;6*1-3-2/h2*1H2,2-3H3;6*3H2,1-2H3
InChIKeyLYNXRXVEJKDYNH-UHFFFAOYSA-N
MW376.80 g/mol
LogP11.66
Rot. Bonds

About bis(2-methylprop-1-ene);propane

bis(2-methylprop-1-ene);propane (PubChem CID 159493997) has the molecular formula C26H64 and a molecular weight of 376.80 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);propane.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);propane
PubChem CID159493997
Molecular FormulaC26H64
Molecular Weight376.80 g/mol
Exact Mass376.50
IUPAC Namebis(2-methylprop-1-ene);propane
SMILESC=C(C)C.C=C(C)C.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/2C4H8.6C3H8/c2*1-4(2)3;6*1-3-2/h2*1H2,2-3H3;6*3H2,1-2H3
InChIKeyLYNXRXVEJKDYNH-UHFFFAOYSA-N
XLogP11.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.80
LogP ≤ 511.66
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

N,N-dimethylmethanamine;methane;2-methylprop-1-ene;propane
CID 158386035
butane;ethane;2-methylprop-1-ene
CID 142168819
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
ethane;tris(2-methylprop-1-ene)
CID 144520420
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethoxyethane;2-methylprop-1-ene
CID 19913928
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
2-methylprop-1-ene;pentan-3-one
CID 174897916
lithium;hydride;2-methylprop-1-ene
CID 174274839
methane;bis(2-methylbut-1-ene)
CID 160529780

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-1-ene);propane?
The IUPAC name of bis(2-methylprop-1-ene);propane (CID 159493997) is bis(2-methylprop-1-ene);propane.
What is the SMILES notation for bis(2-methylprop-1-ene);propane?
The canonical SMILES for bis(2-methylprop-1-ene);propane is C=C(C)C.C=C(C)C.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of bis(2-methylprop-1-ene);propane?
The InChIKey is LYNXRXVEJKDYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8.6C3H8/c2*1-4(2)3;6*1-3-2/h2*1H2,2-3H3;6*3H2,1-2H3.
What are the key properties of bis(2-methylprop-1-ene);propane?
bis(2-methylprop-1-ene);propane has a molecular weight of 376.80 g/mol, XLogP of 11.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);propane is sourced from PubChem (CID 159493997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).