1-ethylsulfinyl-4-methylpentane

C8H18OS — CID 54366923

IUPAC1-ethylsulfinyl-4-methylpentane
SMILESCCS(=O)CCCC(C)C
InChIInChI=1S/C8H18OS/c1-4-10(9)7-5-6-8(2)3/h8H,4-7H2,1-3H3
InChIKeyKXFCAJBYXJCBKY-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.19
Rot. Bonds5

About 1-ethylsulfinyl-4-methylpentane

1-ethylsulfinyl-4-methylpentane (PubChem CID 54366923) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-ethylsulfinyl-4-methylpentane.

Molecular Properties

Compound Name1-ethylsulfinyl-4-methylpentane
PubChem CID54366923
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-ethylsulfinyl-4-methylpentane
SMILESCCS(=O)CCCC(C)C
InChIInChI=1S/C8H18OS/c1-4-10(9)7-5-6-8(2)3/h8H,4-7H2,1-3H3
InChIKeyKXFCAJBYXJCBKY-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-4-methylpentane?
The IUPAC name of 1-ethylsulfinyl-4-methylpentane (CID 54366923) is 1-ethylsulfinyl-4-methylpentane.
What is the SMILES notation for 1-ethylsulfinyl-4-methylpentane?
The canonical SMILES for 1-ethylsulfinyl-4-methylpentane is CCS(=O)CCCC(C)C.
What is the InChIKey of 1-ethylsulfinyl-4-methylpentane?
The InChIKey is KXFCAJBYXJCBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-10(9)7-5-6-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethylsulfinyl-4-methylpentane?
1-ethylsulfinyl-4-methylpentane has a molecular weight of 162.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-4-methylpentane is sourced from PubChem (CID 54366923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).