(Z)-8-methylundec-2-ene-6-sulfonic acid

C12H24O3S — CID 101161286

IUPAC(Z)-8-methylundec-2-ene-6-sulfonic acid
SMILESC/C=C\CCC(CC(C)CCC)S(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-4-6-7-9-12(16(13,14)15)10-11(3)8-5-2/h4,6,11-12H,5,7-10H2,1-3H3,(H,13,14,15)/b6-4-
InChIKeyMDEVXOGWJYMFEZ-XQRVVYSFSA-N
MW248.39 g/mol
LogP3.43
Rot. Bonds8

About (Z)-8-methylundec-2-ene-6-sulfonic acid

(Z)-8-methylundec-2-ene-6-sulfonic acid (PubChem CID 101161286) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is (Z)-8-methylundec-2-ene-6-sulfonic acid.

Molecular Properties

Compound Name(Z)-8-methylundec-2-ene-6-sulfonic acid
PubChem CID101161286
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(Z)-8-methylundec-2-ene-6-sulfonic acid
SMILESC/C=C\CCC(CC(C)CCC)S(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-4-6-7-9-12(16(13,14)15)10-11(3)8-5-2/h4,6,11-12H,5,7-10H2,1-3H3,(H,13,14,15)/b6-4-
InChIKeyMDEVXOGWJYMFEZ-XQRVVYSFSA-N
XLogP3.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-8-methylundec-2-ene-6-sulfonic acid?
The IUPAC name of (Z)-8-methylundec-2-ene-6-sulfonic acid (CID 101161286) is (Z)-8-methylundec-2-ene-6-sulfonic acid.
What is the SMILES notation for (Z)-8-methylundec-2-ene-6-sulfonic acid?
The canonical SMILES for (Z)-8-methylundec-2-ene-6-sulfonic acid is C/C=C\CCC(CC(C)CCC)S(=O)(=O)O.
What is the InChIKey of (Z)-8-methylundec-2-ene-6-sulfonic acid?
The InChIKey is MDEVXOGWJYMFEZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H24O3S/c1-4-6-7-9-12(16(13,14)15)10-11(3)8-5-2/h4,6,11-12H,5,7-10H2,1-3H3,(H,13,14,15)/b6-4-.
What are the key properties of (Z)-8-methylundec-2-ene-6-sulfonic acid?
(Z)-8-methylundec-2-ene-6-sulfonic acid has a molecular weight of 248.39 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-methylundec-2-ene-6-sulfonic acid is sourced from PubChem (CID 101161286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).