[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate

C8H16O3S — CID 54307841

IUPAC[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate
SMILESCC/C(C)=C(/C)COS(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-5-7(2)8(3)6-11-12(4,9)10/h5-6H2,1-4H3/b8-7-
InChIKeyITBNRWJNXQECAI-FPLPWBNLSA-N
MW192.28 g/mol
LogP1.71
Rot. Bonds4

About [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate

[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate (PubChem CID 54307841) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate.

Molecular Properties

Compound Name[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate
PubChem CID54307841
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate
SMILESCC/C(C)=C(/C)COS(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-5-7(2)8(3)6-11-12(4,9)10/h5-6H2,1-4H3/b8-7-
InChIKeyITBNRWJNXQECAI-FPLPWBNLSA-N
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethyl methanesulfonate;hydrofluoride
CID 174826290
1,1-dideuterioethyl methanesulfonate
CID 169008398
[(2E,6Z)-3,7-dimethylnona-2,6-dienyl] methanesulfonate
CID 10634187
[2-(2-ethylphenyl)-2-oxoethyl] methanesulfonate
CID 11459156
methylsulfonyloxymethanesulfinic acid
CID 19968884
ethanamine;propyl methanesulfonate
CID 91463182
(3-ethyl-3-hydroxypentyl) methanesulfonate
CID 22272963
3-ethylsulfanylpropyl methanesulfonate
CID 127013584
4-methylsulfonyloxybut-2-ynyl methanesulfonate
CID 18019
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
2,3-dimethylpent-2-en-1-ol
CID 54207252
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
CID 97038452

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate?
The IUPAC name of [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate (CID 54307841) is [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate.
What is the SMILES notation for [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate?
The canonical SMILES for [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate is CC/C(C)=C(/C)COS(C)(=O)=O.
What is the InChIKey of [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate?
The InChIKey is ITBNRWJNXQECAI-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16O3S/c1-5-7(2)8(3)6-11-12(4,9)10/h5-6H2,1-4H3/b8-7-.
What are the key properties of [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate?
[(Z)-2,3-dimethylpent-2-enyl] methanesulfonate has a molecular weight of 192.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-dimethylpent-2-enyl] methanesulfonate is sourced from PubChem (CID 54307841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).