1-tert-butylsulfinyl-5-methylhexane

C11H24OS — CID 134994527

IUPAC1-tert-butylsulfinyl-5-methylhexane
SMILESCC(C)CCCCS(=O)C(C)(C)C
InChIInChI=1S/C11H24OS/c1-10(2)8-6-7-9-13(12)11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyDROZASYUHLUCGV-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.36
Rot. Bonds5

About 1-tert-butylsulfinyl-5-methylhexane

1-tert-butylsulfinyl-5-methylhexane (PubChem CID 134994527) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 1-tert-butylsulfinyl-5-methylhexane.

Molecular Properties

Compound Name1-tert-butylsulfinyl-5-methylhexane
PubChem CID134994527
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name1-tert-butylsulfinyl-5-methylhexane
SMILESCC(C)CCCCS(=O)C(C)(C)C
InChIInChI=1S/C11H24OS/c1-10(2)8-6-7-9-13(12)11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyDROZASYUHLUCGV-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isopentyl sulfoxide
CID 24407
Hexyl sulfoxide
CID 16593
Isobutyl sulfoxide
CID 18328
3-Butyl-1lambda~4~-thiolan-1-one
CID 3363251
(1R,3S)-3-Butylthiolane 1-oxide
CID 17754178
3-Butylthiolane 1-Oxide
CID 9543528
Bis(2-ethylhexyl) sulfoxide
CID 3813850
1-Tert-butylsulfinyl-2-methylpropane
CID 9898916
5-Methyl-1-methylsulfonylhexane
CID 13525653
1-Ethylsulfinylhexane
CID 18965294
Isobutylbutyl sulfoxide
CID 123111909
2-Methyl-3-methylsulfonylhexane
CID 123139265

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfinyl-5-methylhexane?
The IUPAC name of 1-tert-butylsulfinyl-5-methylhexane (CID 134994527) is 1-tert-butylsulfinyl-5-methylhexane.
What is the SMILES notation for 1-tert-butylsulfinyl-5-methylhexane?
The canonical SMILES for 1-tert-butylsulfinyl-5-methylhexane is CC(C)CCCCS(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfinyl-5-methylhexane?
The InChIKey is DROZASYUHLUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-10(2)8-6-7-9-13(12)11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 1-tert-butylsulfinyl-5-methylhexane?
1-tert-butylsulfinyl-5-methylhexane has a molecular weight of 204.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfinyl-5-methylhexane is sourced from PubChem (CID 134994527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).