2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)

C26H50O4S2Y2-2 — CID 159513651

IUPAC2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)
SMILESC=C(C)C(C)CS(C)(=O)=O.C=C(C)C([CH2-])C.CCC(C)=CCS(C)(=O)=O.[CH2-]C=C(C)CC.[Y].[Y]
InChIInChI=1S/2C7H14O2S.2C6H11.2Y/c1-6(2)7(3)5-10(4,8)9;1-4-7(2)5-6-10(3,8)9;1-5(2)6(3)4;1-4-6(3)5-2;;/h7H,1,5H2,2-4H3;5H,4,6H2,1-3H3;5H,1,3H2,2,4H3;4H,1,5H2,2-3H3;;/q;;2*-1;;
InChIKeyLBQDIBUUMPODFE-UHFFFAOYSA-N
MW668.63 g/mol
LogP6.83
Rot. Bonds8

About 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)

2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium) (PubChem CID 159513651) has the molecular formula C26H50O4S2Y2-2 and a molecular weight of 668.63 g/mol. Its IUPAC name is 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium).

Molecular Properties

Compound Name2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)
PubChem CID159513651
Molecular FormulaC26H50O4S2Y2-2
Molecular Weight668.63 g/mol
Exact Mass668.13
IUPAC Name2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)
SMILESC=C(C)C(C)CS(C)(=O)=O.C=C(C)C([CH2-])C.CCC(C)=CCS(C)(=O)=O.[CH2-]C=C(C)CC.[Y].[Y]
InChIInChI=1S/2C7H14O2S.2C6H11.2Y/c1-6(2)7(3)5-10(4,8)9;1-4-7(2)5-6-10(3,8)9;1-5(2)6(3)4;1-4-6(3)5-2;;/h7H,1,5H2,2-4H3;5H,4,6H2,1-3H3;5H,1,3H2,2,4H3;4H,1,5H2,2-3H3;;/q;;2*-1;;
InChIKeyLBQDIBUUMPODFE-UHFFFAOYSA-N
XLogP6.83
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.63
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methyl-1-methylsulfonylpent-2-ene
CID 143970798
(E)-1-chloro-2-methyl-4-methylsulfonylbut-2-ene
CID 12572206
3-methyl-1-methylsulfonylbut-3-en-2-ol
CID 115817465
(E)-3-fluoro-1-methylsulfonylpent-2-ene
CID 143311068
2,3,5-trimethylocta-1,5-diene
CID 123730712
2-(2,3-dimethylbut-3-enylsulfonyl)pyrimidine
CID 175122624
(2S)-2-methyl-3-methylsulfonylpropanamide
CID 57086977
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
CID 159832384
(E)-5-methyl-2-prop-1-en-2-ylhept-4-en-1-ol
CID 122678118
4-methylidene-1-methylsulfonylhexan-2-ol
CID 115650245
[(2E,6Z)-3,7-dimethylnona-2,6-dienyl] methanesulfonate
CID 10634187
(Z)-2,4-dimethylhex-3-ene
CID 5463169

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)?
The IUPAC name of 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium) (CID 159513651) is 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium).
What is the SMILES notation for 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)?
The canonical SMILES for 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium) is C=C(C)C(C)CS(C)(=O)=O.C=C(C)C([CH2-])C.CCC(C)=CCS(C)(=O)=O.[CH2-]C=C(C)CC.[Y].[Y].
What is the InChIKey of 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)?
The InChIKey is LBQDIBUUMPODFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O2S.2C6H11.2Y/c1-6(2)7(3)5-10(4,8)9;1-4-7(2)5-6-10(3,8)9;1-5(2)6(3)4;1-4-6(3)5-2;;/h7H,1,5H2,2-4H3;5H,4,6H2,1-3H3;5H,1,3H2,2,4H3;4H,1,5H2,2-3H3;;/q;;2*-1;;.
What are the key properties of 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium)?
2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium) has a molecular weight of 668.63 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-methylsulfonylbut-1-ene;3-methanidyl-2-methylbut-1-ene;3-methyl-1-methylsulfonylpent-2-ene;3-methylpent-2-ene;bis(yttrium) is sourced from PubChem (CID 159513651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).