2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal

C14H24O4S2 — CID 143079941

IUPAC2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal
SMILESO=CC(CCO)CCSCCSCCC1CCOC1=O
InChIInChI=1S/C14H24O4S2/c15-5-1-12(11-16)3-7-19-9-10-20-8-4-13-2-6-18-14(13)17/h11-13,15H,1-10H2
InChIKeySZTKCACQERBZTH-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.99
Rot. Bonds12

About 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal

2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal (PubChem CID 143079941) has the molecular formula C14H24O4S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal
PubChem CID143079941
Molecular FormulaC14H24O4S2
Molecular Weight320.48 g/mol
Exact Mass320.11
IUPAC Name2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal
SMILESO=CC(CCO)CCSCCSCCC1CCOC1=O
InChIInChI=1S/C14H24O4S2/c15-5-1-12(11-16)3-7-19-9-10-20-8-4-13-2-6-18-14(13)17/h11-13,15H,1-10H2
InChIKeySZTKCACQERBZTH-UHFFFAOYSA-N
XLogP1.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal 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 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal?
The IUPAC name of 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal (CID 143079941) is 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal?
The canonical SMILES for 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal is O=CC(CCO)CCSCCSCCC1CCOC1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal?
The InChIKey is SZTKCACQERBZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S2/c15-5-1-12(11-16)3-7-19-9-10-20-8-4-13-2-6-18-14(13)17/h11-13,15H,1-10H2.
What are the key properties of 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal?
2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal has a molecular weight of 320.48 g/mol, XLogP of 1.99, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-[2-[2-(2-oxooxolan-3-yl)ethylsulfanyl]ethylsulfanyl]butanal is sourced from PubChem (CID 143079941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).