6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one

C10H20O2S — CID 103343956

IUPAC6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one
SMILESCCSCCCC(CCO)C(C)=O
InChIInChI=1S/C10H20O2S/c1-3-13-8-4-5-10(6-7-11)9(2)12/h10-11H,3-8H2,1-2H3
InChIKeyHHLRPOVKSZKDLC-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.11
Rot. Bonds8

About 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one

6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one (PubChem CID 103343956) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one.

Molecular Properties

Compound Name6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one
PubChem CID103343956
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one
SMILESCCSCCCC(CCO)C(C)=O
InChIInChI=1S/C10H20O2S/c1-3-13-8-4-5-10(6-7-11)9(2)12/h10-11H,3-8H2,1-2H3
InChIKeyHHLRPOVKSZKDLC-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2,5-bis(3-ethylsulfanylpropyl)hexanedioic acid
CID 92532678
6-fluoro-3-(2-hydroxyethyl)hexan-2-one
CID 103343847
3-(2-hydroxyethyl)oct-7-en-2-one
CID 103343971
5-ethylsulfanyl-2-hydroxypentanoic acid
CID 87148073
5-ethylsulfanyl-2-hydroxypentanamide
CID 141016967
3-pentylnonan-2-one
CID 21290467
3-butylundecan-2-one
CID 10922232
3-(2-hydroxyethyl)hept-6-yn-2-one
CID 103343922
1-ethylsulfanyl-4,5,5-trimethylnonane
CID 138600453
2-(2-ethylsulfanylethyl)propanedioic acid
CID 87754532
S-ethyl 3-ethylsulfanylpropanethioate
CID 14948084
5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
CID 103343915

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one?
The IUPAC name of 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one (CID 103343956) is 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one.
What is the SMILES notation for 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one?
The canonical SMILES for 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one is CCSCCCC(CCO)C(C)=O.
What is the InChIKey of 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one?
The InChIKey is HHLRPOVKSZKDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-13-8-4-5-10(6-7-11)9(2)12/h10-11H,3-8H2,1-2H3.
What are the key properties of 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one?
6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one has a molecular weight of 204.33 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one is sourced from PubChem (CID 103343956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).