methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane

C24H55NO3S — CID 162252255

IUPACmethoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane
SMILESC=C(C)CC.C=C(CC)CC.C=C(CC)CC.CCC.CNS(C)(=O)=O.COC
InChIInChI=1S/2C6H12.C5H10.C3H8.C2H7NO2S.C2H6O/c2*1-4-6(3)5-2;1-4-5(2)3;1-3-2;1-3-6(2,4)5;1-3-2/h2*3-5H2,1-2H3;2,4H2,1,3H3;3H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyZYDDJNCHMYFSEK-UHFFFAOYSA-N
MW437.78 g/mol
LogP7.54
Rot. Bonds6

About methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane

methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane (PubChem CID 162252255) has the molecular formula C24H55NO3S and a molecular weight of 437.78 g/mol. Its IUPAC name is methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane.

Molecular Properties

Compound Namemethoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane
PubChem CID162252255
Molecular FormulaC24H55NO3S
Molecular Weight437.78 g/mol
Exact Mass437.39
IUPAC Namemethoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane
SMILESC=C(C)CC.C=C(CC)CC.C=C(CC)CC.CCC.CNS(C)(=O)=O.COC
InChIInChI=1S/2C6H12.C5H10.C3H8.C2H7NO2S.C2H6O/c2*1-4-6(3)5-2;1-4-5(2)3;1-3-2;1-3-6(2,4)5;1-3-2/h2*3-5H2,1-2H3;2,4H2,1,3H3;3H2,1-2H3;3H,1-2H3;1-2H3
InChIKeyZYDDJNCHMYFSEK-UHFFFAOYSA-N
XLogP7.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;bis(2-methylbut-1-ene)
CID 160529780
3-methylidenepentane;hydrate
CID 162329688
N-[2-(2-methylidenebutylamino)ethyl]methanesulfonamide
CID 66047591
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
pentakis(N-methylacetamide);N-methylethanesulfonamide;bis(N-methylmethanesulfonamide);bis(N-methylpropanamide)
CID 162162754
ethane;methane;methanesulfonic acid;methoxyethane;propane
CID 160590924
butan-2-one;(E)-2-methoxybut-2-ene;methoxymethane;methylsulfonylmethane;propan-2-one
CID 162052431
butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
1,1-dimethoxy-4-methylidenehexan-2-one
CID 79492297

Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane?
The IUPAC name of methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane (CID 162252255) is methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane.
What is the SMILES notation for methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane?
The canonical SMILES for methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane is C=C(C)CC.C=C(CC)CC.C=C(CC)CC.CCC.CNS(C)(=O)=O.COC.
What is the InChIKey of methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane?
The InChIKey is ZYDDJNCHMYFSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.C5H10.C3H8.C2H7NO2S.C2H6O/c2*1-4-6(3)5-2;1-4-5(2)3;1-3-2;1-3-6(2,4)5;1-3-2/h2*3-5H2,1-2H3;2,4H2,1,3H3;3H2,1-2H3;3H,1-2H3;1-2H3.
What are the key properties of methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane?
methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane has a molecular weight of 437.78 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-methylbut-1-ene;bis(3-methylidenepentane);N-methylmethanesulfonamide;propane is sourced from PubChem (CID 162252255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).