10-methylundec-10-ene-2-sulfonic acid

C12H24O3S — CID 19862415

IUPAC10-methylundec-10-ene-2-sulfonic acid
SMILESC=C(C)CCCCCCCC(C)S(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-11(2)9-7-5-4-6-8-10-12(3)16(13,14)15/h12H,1,4-10H2,2-3H3,(H,13,14,15)
InChIKeyXVMLTBCJIODUDB-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.57
Rot. Bonds9

About 10-methylundec-10-ene-2-sulfonic acid

10-methylundec-10-ene-2-sulfonic acid (PubChem CID 19862415) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 10-methylundec-10-ene-2-sulfonic acid.

Molecular Properties

Compound Name10-methylundec-10-ene-2-sulfonic acid
PubChem CID19862415
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name10-methylundec-10-ene-2-sulfonic acid
SMILESC=C(C)CCCCCCCC(C)S(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-11(2)9-7-5-4-6-8-10-12(3)16(13,14)15/h12H,1,4-10H2,2-3H3,(H,13,14,15)
InChIKeyXVMLTBCJIODUDB-UHFFFAOYSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylundec-10-ene-2-sulfonic acid?
The IUPAC name of 10-methylundec-10-ene-2-sulfonic acid (CID 19862415) is 10-methylundec-10-ene-2-sulfonic acid.
What is the SMILES notation for 10-methylundec-10-ene-2-sulfonic acid?
The canonical SMILES for 10-methylundec-10-ene-2-sulfonic acid is C=C(C)CCCCCCCC(C)S(=O)(=O)O.
What is the InChIKey of 10-methylundec-10-ene-2-sulfonic acid?
The InChIKey is XVMLTBCJIODUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-11(2)9-7-5-4-6-8-10-12(3)16(13,14)15/h12H,1,4-10H2,2-3H3,(H,13,14,15).
What are the key properties of 10-methylundec-10-ene-2-sulfonic acid?
10-methylundec-10-ene-2-sulfonic acid has a molecular weight of 248.39 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundec-10-ene-2-sulfonic acid is sourced from PubChem (CID 19862415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).