10-methylundec-10-ene-1-sulfonic acid

C12H24O3S — CID 19862412

IUPAC10-methylundec-10-ene-1-sulfonic acid
SMILESC=C(C)CCCCCCCCCS(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-12(2)10-8-6-4-3-5-7-9-11-16(13,14)15/h1,3-11H2,2H3,(H,13,14,15)
InChIKeyYZSDJSMCGHZQON-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.57
Rot. Bonds10

About 10-methylundec-10-ene-1-sulfonic acid

10-methylundec-10-ene-1-sulfonic acid (PubChem CID 19862412) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 10-methylundec-10-ene-1-sulfonic acid.

Molecular Properties

Compound Name10-methylundec-10-ene-1-sulfonic acid
PubChem CID19862412
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name10-methylundec-10-ene-1-sulfonic acid
SMILESC=C(C)CCCCCCCCCS(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-12(2)10-8-6-4-3-5-7-9-11-16(13,14)15/h1,3-11H2,2H3,(H,13,14,15)
InChIKeyYZSDJSMCGHZQON-UHFFFAOYSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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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Related Compounds

1-Decene-1-sulfonic acid, sodium salt (1:1)
CID 6450292
1-Octene-1-sulfonic acid, sodium salt (1:1)
CID 6450205
Methyl-7-octene-sulphonic acid
CID 129690548
Pentadec-14-ene-1-sulfonic Acid
CID 108619
1-Dodecene-1-sulfonic acid
CID 169221
1-Octene-1-sulfonic acid
CID 3083812
(E)-tetradec-1-ene-1-sulfonic acid
CID 6437821
CID 161968371
CID 161968371
(Z)-1-ethylsulfonyl-2-methylhex-1-ene
CID 12431667
(E)-2-methyl-1-methylsulfonylhept-1-ene
CID 12636170
3,4-Dipropylthiophene-1,1-dioxide
CID 129832305
1-(Cyclohexen-1-yl)hexane-1-sulfonic acid
CID 134925932

Frequently Asked Questions

What is the IUPAC name of 10-methylundec-10-ene-1-sulfonic acid?
The IUPAC name of 10-methylundec-10-ene-1-sulfonic acid (CID 19862412) is 10-methylundec-10-ene-1-sulfonic acid.
What is the SMILES notation for 10-methylundec-10-ene-1-sulfonic acid?
The canonical SMILES for 10-methylundec-10-ene-1-sulfonic acid is C=C(C)CCCCCCCCCS(=O)(=O)O.
What is the InChIKey of 10-methylundec-10-ene-1-sulfonic acid?
The InChIKey is YZSDJSMCGHZQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-12(2)10-8-6-4-3-5-7-9-11-16(13,14)15/h1,3-11H2,2H3,(H,13,14,15).
What are the key properties of 10-methylundec-10-ene-1-sulfonic acid?
10-methylundec-10-ene-1-sulfonic acid has a molecular weight of 248.39 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundec-10-ene-1-sulfonic acid is sourced from PubChem (CID 19862412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).