2-methyl-2-sulfanyldecanal

C11H22OS — CID 154228508

IUPAC2-methyl-2-sulfanyldecanal
SMILESCCCCCCCCC(C)(S)C=O
InChIInChI=1S/C11H22OS/c1-3-4-5-6-7-8-9-11(2,13)10-12/h10,13H,3-9H2,1-2H3
InChIKeyQNOBHQJQWKUKRY-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.62
Rot. Bonds8

About 2-methyl-2-sulfanyldecanal

2-methyl-2-sulfanyldecanal (PubChem CID 154228508) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-methyl-2-sulfanyldecanal.

Molecular Properties

Compound Name2-methyl-2-sulfanyldecanal
PubChem CID154228508
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name2-methyl-2-sulfanyldecanal
SMILESCCCCCCCCC(C)(S)C=O
InChIInChI=1S/C11H22OS/c1-3-4-5-6-7-8-9-11(2,13)10-12/h10,13H,3-9H2,1-2H3
InChIKeyQNOBHQJQWKUKRY-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-sulfanylhexanal
CID 88843028
2,2-diethylundecanal
CID 152675442
3-methylnonane-3-thiol
CID 170848773
2-amino-2-methylundecanal
CID 175716419
(2R)-2-amino-2-methylnonanal
CID 145052924
2-hydroxy-2-methylundecanal
CID 66038378
2-bromo-2-ethyldodecanal
CID 11623442
2,2-diaminononadecanal
CID 174639671
2,2-difluorodecanal
CID 14644932
hexacosane-11,11-dithiol
CID 91479109
tetradecane-6,6-dithiol
CID 54417735
2,2-dimethylhexadecanal;2-hydroxyacetaldehyde
CID 121365643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfanyldecanal?
The IUPAC name of 2-methyl-2-sulfanyldecanal (CID 154228508) is 2-methyl-2-sulfanyldecanal.
What is the SMILES notation for 2-methyl-2-sulfanyldecanal?
The canonical SMILES for 2-methyl-2-sulfanyldecanal is CCCCCCCCC(C)(S)C=O.
What is the InChIKey of 2-methyl-2-sulfanyldecanal?
The InChIKey is QNOBHQJQWKUKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-4-5-6-7-8-9-11(2,13)10-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-sulfanyldecanal?
2-methyl-2-sulfanyldecanal has a molecular weight of 202.36 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfanyldecanal is sourced from PubChem (CID 154228508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).