dec-2-ene-1-sulfinic acid

C10H20O2S — CID 175496149

IUPACdec-2-ene-1-sulfinic acid
SMILESCCCCCCCC=CCS(=O)O
InChIInChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-9-10-13(11)12/h8-9H,2-7,10H2,1H3,(H,11,12)
InChIKeyDDZLSLLZTUJYDF-UHFFFAOYSA-N
MW204.33 g/mol
LogP3.12
Rot. Bonds8

About dec-2-ene-1-sulfinic acid

dec-2-ene-1-sulfinic acid (PubChem CID 175496149) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is dec-2-ene-1-sulfinic acid.

Molecular Properties

Compound Namedec-2-ene-1-sulfinic acid
PubChem CID175496149
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Namedec-2-ene-1-sulfinic acid
SMILESCCCCCCCC=CCS(=O)O
InChIInChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-9-10-13(11)12/h8-9H,2-7,10H2,1H3,(H,11,12)
InChIKeyDDZLSLLZTUJYDF-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-octadec-9-ene-1-sulfinic acid
CID 162512733
(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
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(Z)-tricos-11-ene
CID 5356790

Frequently Asked Questions

What is the IUPAC name of dec-2-ene-1-sulfinic acid?
The IUPAC name of dec-2-ene-1-sulfinic acid (CID 175496149) is dec-2-ene-1-sulfinic acid.
What is the SMILES notation for dec-2-ene-1-sulfinic acid?
The canonical SMILES for dec-2-ene-1-sulfinic acid is CCCCCCCC=CCS(=O)O.
What is the InChIKey of dec-2-ene-1-sulfinic acid?
The InChIKey is DDZLSLLZTUJYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-9-10-13(11)12/h8-9H,2-7,10H2,1H3,(H,11,12).
What are the key properties of dec-2-ene-1-sulfinic acid?
dec-2-ene-1-sulfinic acid has a molecular weight of 204.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-ene-1-sulfinic acid is sourced from PubChem (CID 175496149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).