6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol

C20H42O4S — CID 20805278

IUPAC6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol
SMILESCC(C)(CCCCCO)CCCCOCCCCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C20H42O4S/c1-19(2,13-7-6-10-16-21)14-8-11-17-24-18-12-9-15-20(3,4)25(5,22)23/h21H,6-18H2,1-5H3
InChIKeyNRRCUAKISGBIGY-UHFFFAOYSA-N
MW378.62 g/mol
LogP4.75
Rot. Bonds16

About 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol

6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol (PubChem CID 20805278) has the molecular formula C20H42O4S and a molecular weight of 378.62 g/mol. Its IUPAC name is 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol.

Molecular Properties

Compound Name6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol
PubChem CID20805278
Molecular FormulaC20H42O4S
Molecular Weight378.62 g/mol
Exact Mass378.28
IUPAC Name6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol
SMILESCC(C)(CCCCCO)CCCCOCCCCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C20H42O4S/c1-19(2,13-7-6-10-16-21)14-8-11-17-24-18-12-9-15-20(3,4)25(5,22)23/h21H,6-18H2,1-5H3
InChIKeyNRRCUAKISGBIGY-UHFFFAOYSA-N
XLogP4.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol 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

10-(5,5-dimethyl-8-methylsulfonyloctoxy)-6,6-dimethyldecan-1-ol
CID 20805189
[7-(8-hydroxy-5,5-dimethyloctoxy)-3,3-dimethylheptyl] dihydrogen phosphate
CID 23390840
[6-(10-hydroxy-5,5-dimethyldecoxy)-2-methylhexan-2-yl] dihydrogen phosphate
CID 23390820
7-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylheptan-1-ol
CID 11426254
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptan-1-ol
CID 59111002
2-methyl-6-(5-methyl-5-sulfamoylhexoxy)hexane-2-sulfonamide
CID 22085257
6-(5,5-dimethylheptoxy)-2-methylhexane-2-sulfonamide
CID 59296348
[6-(7-hydroxy-5,5-dimethylheptoxy)-2,2-dimethylhexyl] dihydrogen phosphate
CID 22085314
6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
CID 11470973
[8-(5,5-dimethyl-9-phosphonooxynonoxy)-4,4-dimethyloctyl] dihydrogen phosphate
CID 22085342
8-(5,5-dimethyl-8-methylsulfonyloctoxy)-4,4-dimethyloctane-1-sulfonamide
CID 20805312
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol?
The IUPAC name of 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol (CID 20805278) is 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol.
What is the SMILES notation for 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol?
The canonical SMILES for 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol is CC(C)(CCCCCO)CCCCOCCCCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol?
The InChIKey is NRRCUAKISGBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4S/c1-19(2,13-7-6-10-16-21)14-8-11-17-24-18-12-9-15-20(3,4)25(5,22)23/h21H,6-18H2,1-5H3.
What are the key properties of 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol?
6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol has a molecular weight of 378.62 g/mol, XLogP of 4.75, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-10-(5-methyl-5-methylsulfonylhexoxy)decan-1-ol is sourced from PubChem (CID 20805278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).