10-cyclohexyldecane-1-sulfonic acid

C16H32O3S — CID 150281509

IUPAC10-cyclohexyldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCC1CCCCC1
InChIInChI=1S/C16H32O3S/c17-20(18,19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,17,18,19)
InChIKeyGFRLRLMOOMTTBD-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.97
Rot. Bonds11

About 10-cyclohexyldecane-1-sulfonic acid

10-cyclohexyldecane-1-sulfonic acid (PubChem CID 150281509) has the molecular formula C16H32O3S and a molecular weight of 304.50 g/mol. Its IUPAC name is 10-cyclohexyldecane-1-sulfonic acid.

Molecular Properties

Compound Name10-cyclohexyldecane-1-sulfonic acid
PubChem CID150281509
Molecular FormulaC16H32O3S
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name10-cyclohexyldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCC1CCCCC1
InChIInChI=1S/C16H32O3S/c17-20(18,19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,17,18,19)
InChIKeyGFRLRLMOOMTTBD-UHFFFAOYSA-N
XLogP4.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylcyclohexyl)butane-1-sulfonic acid
CID 58052902
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CID 144547696
3-(dimethylamino)propane-1-sulfonic acid;propylcycloheptane
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octane-1,8-disulfonic acid
CID 18172926
4-[(2S)-2-methylcyclohexyl]butane-1-sulfonic acid
CID 58053016
11-cyclohexylundecan-1-ol
CID 18980516
cyclopentylcyclopentane;propane-1,3-disulfonic acid
CID 174762180
4-(1-methylpyrrolidin-3-yl)butane-1-sulfonic acid
CID 87059945
pentane-1,5-disulfonic acid;hydrate
CID 133062445
5-cyclobutylpentylcyclobutane
CID 173228999
3-cyclohexadecylpropylcyclohexadecane
CID 57270632

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyldecane-1-sulfonic acid?
The IUPAC name of 10-cyclohexyldecane-1-sulfonic acid (CID 150281509) is 10-cyclohexyldecane-1-sulfonic acid.
What is the SMILES notation for 10-cyclohexyldecane-1-sulfonic acid?
The canonical SMILES for 10-cyclohexyldecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCC1CCCCC1.
What is the InChIKey of 10-cyclohexyldecane-1-sulfonic acid?
The InChIKey is GFRLRLMOOMTTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3S/c17-20(18,19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,17,18,19).
What are the key properties of 10-cyclohexyldecane-1-sulfonic acid?
10-cyclohexyldecane-1-sulfonic acid has a molecular weight of 304.50 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyldecane-1-sulfonic acid is sourced from PubChem (CID 150281509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).