10-methylundecane-1-sulfinate

C12H25O2S- — CID 175520808

IUPAC10-methylundecane-1-sulfinate
SMILESCC(C)CCCCCCCCCS(=O)[O-]
InChIInChI=1S/C12H26O2S/c1-12(2)10-8-6-4-3-5-7-9-11-15(13)14/h12H,3-11H2,1-2H3,(H,13,14)/p-1
InChIKeyVCHJSMFCZGZTAM-UHFFFAOYSA-M
MW233.40 g/mol
LogP3.64
Rot. Bonds10

About 10-methylundecane-1-sulfinate

10-methylundecane-1-sulfinate (PubChem CID 175520808) has the molecular formula C12H25O2S- and a molecular weight of 233.40 g/mol. Its IUPAC name is 10-methylundecane-1-sulfinate.

Molecular Properties

Compound Name10-methylundecane-1-sulfinate
PubChem CID175520808
Molecular FormulaC12H25O2S-
Molecular Weight233.40 g/mol
Exact Mass233.16
IUPAC Name10-methylundecane-1-sulfinate
SMILESCC(C)CCCCCCCCCS(=O)[O-]
InChIInChI=1S/C12H26O2S/c1-12(2)10-8-6-4-3-5-7-9-11-15(13)14/h12H,3-11H2,1-2H3,(H,13,14)/p-1
InChIKeyVCHJSMFCZGZTAM-UHFFFAOYSA-M
XLogP3.64
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-methylundecane-1-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
6-methyl-1-(sulfinatoamino)heptane
CID 22376959
silver dodecane-1-sulfinate
CID 86740193
2-(3-methylbutylamino)ethanesulfinate
CID 153179364
6-chlorohexane-1-sulfinate
CID 57263449
[bis(6-methylheptyl)-λ4-sulfanylidene]phosphinous acid
CID 138522099
13-methyl-1-(3-propoxypropylsulfinyl)tetradecane
CID 126585956
2-methyl-6-[6-methylheptan-2-yl(sulfinato)amino]heptane
CID 90709848
N,N,16-trimethylheptadecan-1-amine oxide
CID 23129549
6-(methylcarbamoylamino)hexane-1-sulfinate
CID 148533155
tris(2,7-dimethyloctane);ethane;methane
CID 159869544

Frequently Asked Questions

What is the IUPAC name of 10-methylundecane-1-sulfinate?
The IUPAC name of 10-methylundecane-1-sulfinate (CID 175520808) is 10-methylundecane-1-sulfinate.
What is the SMILES notation for 10-methylundecane-1-sulfinate?
The canonical SMILES for 10-methylundecane-1-sulfinate is CC(C)CCCCCCCCCS(=O)[O-].
What is the InChIKey of 10-methylundecane-1-sulfinate?
The InChIKey is VCHJSMFCZGZTAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O2S/c1-12(2)10-8-6-4-3-5-7-9-11-15(13)14/h12H,3-11H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 10-methylundecane-1-sulfinate?
10-methylundecane-1-sulfinate has a molecular weight of 233.40 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundecane-1-sulfinate is sourced from PubChem (CID 175520808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).