1-ethylsulfinylhexane

C8H18OS — CID 18965294

IUPAC1-ethylsulfinylhexane
SMILESCCCCCCS(=O)CC
InChIInChI=1S/C8H18OS/c1-3-5-6-7-8-10(9)4-2/h3-8H2,1-2H3
InChIKeyFSSXOGCNMXTRSK-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.34
Rot. Bonds6

About 1-ethylsulfinylhexane

1-ethylsulfinylhexane (PubChem CID 18965294) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-ethylsulfinylhexane.

Molecular Properties

Compound Name1-ethylsulfinylhexane
PubChem CID18965294
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-ethylsulfinylhexane
SMILESCCCCCCS(=O)CC
InChIInChI=1S/C8H18OS/c1-3-5-6-7-8-10(9)4-2/h3-8H2,1-2H3
InChIKeyFSSXOGCNMXTRSK-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.34
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

1-ethylsulfinyloctane
CID 54141160
1-heptadecylsulfinylheptadecane
CID 54059826
1-butoxy-13-ethylsulfinyltridecane
CID 126585887
tetradecylsulfinylmethanol
CID 88782233
3-pentylsulfinylpropan-1-ol
CID 12518269
3-dodecylsulfinylprop-1-en-2-ol
CID 88815139
sodium nonane-1-sulfinate
CID 86740195
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
sodium;hexane-1-sulfinic acid;hydride
CID 173414906
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
CID 166889153

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylhexane?
The IUPAC name of 1-ethylsulfinylhexane (CID 18965294) is 1-ethylsulfinylhexane.
What is the SMILES notation for 1-ethylsulfinylhexane?
The canonical SMILES for 1-ethylsulfinylhexane is CCCCCCS(=O)CC.
What is the InChIKey of 1-ethylsulfinylhexane?
The InChIKey is FSSXOGCNMXTRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-3-5-6-7-8-10(9)4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethylsulfinylhexane?
1-ethylsulfinylhexane has a molecular weight of 162.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylhexane is sourced from PubChem (CID 18965294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).