4-ethyl-1-ethylsulfanylhexan-3-ol

C10H22OS — CID 116504800

IUPAC4-ethyl-1-ethylsulfanylhexan-3-ol
SMILESCCSCCC(O)C(CC)CC
InChIInChI=1S/C10H22OS/c1-4-9(5-2)10(11)7-8-12-6-3/h9-11H,4-8H2,1-3H3
InChIKeyVZKWKWHQUXBAQV-UHFFFAOYSA-N
MW190.35 g/mol
LogP2.93
Rot. Bonds7

About 4-ethyl-1-ethylsulfanylhexan-3-ol

4-ethyl-1-ethylsulfanylhexan-3-ol (PubChem CID 116504800) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 4-ethyl-1-ethylsulfanylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-1-ethylsulfanylhexan-3-ol
PubChem CID116504800
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name4-ethyl-1-ethylsulfanylhexan-3-ol
SMILESCCSCCC(O)C(CC)CC
InChIInChI=1S/C10H22OS/c1-4-9(5-2)10(11)7-8-12-6-3/h9-11H,4-8H2,1-3H3
InChIKeyVZKWKWHQUXBAQV-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-ethylsulfanylhexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-ethylsulfanylhexan-3-ol?
The IUPAC name of 4-ethyl-1-ethylsulfanylhexan-3-ol (CID 116504800) is 4-ethyl-1-ethylsulfanylhexan-3-ol.
What is the SMILES notation for 4-ethyl-1-ethylsulfanylhexan-3-ol?
The canonical SMILES for 4-ethyl-1-ethylsulfanylhexan-3-ol is CCSCCC(O)C(CC)CC.
What is the InChIKey of 4-ethyl-1-ethylsulfanylhexan-3-ol?
The InChIKey is VZKWKWHQUXBAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-4-9(5-2)10(11)7-8-12-6-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-1-ethylsulfanylhexan-3-ol?
4-ethyl-1-ethylsulfanylhexan-3-ol has a molecular weight of 190.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-ethylsulfanylhexan-3-ol is sourced from PubChem (CID 116504800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).