1-ethylsulfinyloctane

C10H22OS — CID 54141160

IUPAC1-ethylsulfinyloctane
SMILESCCCCCCCCS(=O)CC
InChIInChI=1S/C10H22OS/c1-3-5-6-7-8-9-10-12(11)4-2/h3-10H2,1-2H3
InChIKeyOBEZKSPNIWCNFE-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.12
Rot. Bonds8

About 1-ethylsulfinyloctane

1-ethylsulfinyloctane (PubChem CID 54141160) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-ethylsulfinyloctane.

Molecular Properties

Compound Name1-ethylsulfinyloctane
PubChem CID54141160
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-ethylsulfinyloctane
SMILESCCCCCCCCS(=O)CC
InChIInChI=1S/C10H22OS/c1-3-5-6-7-8-9-10-12(11)4-2/h3-10H2,1-2H3
InChIKeyOBEZKSPNIWCNFE-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.12
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-ethylsulfinylhexane
CID 18965294
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
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
sodium;hexane-1-sulfinic acid;hydride
CID 173414906
2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
CID 166889153

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyloctane?
The IUPAC name of 1-ethylsulfinyloctane (CID 54141160) is 1-ethylsulfinyloctane.
What is the SMILES notation for 1-ethylsulfinyloctane?
The canonical SMILES for 1-ethylsulfinyloctane is CCCCCCCCS(=O)CC.
What is the InChIKey of 1-ethylsulfinyloctane?
The InChIKey is OBEZKSPNIWCNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-3-5-6-7-8-9-10-12(11)4-2/h3-10H2,1-2H3.
What are the key properties of 1-ethylsulfinyloctane?
1-ethylsulfinyloctane has a molecular weight of 190.35 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyloctane is sourced from PubChem (CID 54141160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).