methyl (E)-dec-2-ene-1-sulfinate

C11H22O2S — CID 11127758

IUPACmethyl (E)-dec-2-ene-1-sulfinate
SMILESCCCCCCC/C=C/CS(=O)OC
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-10-11-14(12)13-2/h9-10H,3-8,11H2,1-2H3/b10-9+
InChIKeyJVUMHBBWFHXQBN-MDZDMXLPSA-N
MW218.36 g/mol
LogP3.21
Rot. Bonds9

About methyl (E)-dec-2-ene-1-sulfinate

methyl (E)-dec-2-ene-1-sulfinate (PubChem CID 11127758) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is methyl (E)-dec-2-ene-1-sulfinate.

Molecular Properties

Compound Namemethyl (E)-dec-2-ene-1-sulfinate
PubChem CID11127758
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Namemethyl (E)-dec-2-ene-1-sulfinate
SMILESCCCCCCC/C=C/CS(=O)OC
InChIInChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-10-11-14(12)13-2/h9-10H,3-8,11H2,1-2H3/b10-9+
InChIKeyJVUMHBBWFHXQBN-MDZDMXLPSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dec-2-ene-1-sulfinic acid
CID 175496149
(E)-1-methylsulfinyloct-2-ene
CID 14024912
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
(E)-hexacos-10-ene
CID 22172169
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of methyl (E)-dec-2-ene-1-sulfinate?
The IUPAC name of methyl (E)-dec-2-ene-1-sulfinate (CID 11127758) is methyl (E)-dec-2-ene-1-sulfinate.
What is the SMILES notation for methyl (E)-dec-2-ene-1-sulfinate?
The canonical SMILES for methyl (E)-dec-2-ene-1-sulfinate is CCCCCCC/C=C/CS(=O)OC.
What is the InChIKey of methyl (E)-dec-2-ene-1-sulfinate?
The InChIKey is JVUMHBBWFHXQBN-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22O2S/c1-3-4-5-6-7-8-9-10-11-14(12)13-2/h9-10H,3-8,11H2,1-2H3/b10-9+.
What are the key properties of methyl (E)-dec-2-ene-1-sulfinate?
methyl (E)-dec-2-ene-1-sulfinate has a molecular weight of 218.36 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-dec-2-ene-1-sulfinate is sourced from PubChem (CID 11127758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).