4-(triethoxy-λ4-sulfanyl)butanal

C10H22O4S — CID 140686899

IUPAC4-(triethoxy-λ4-sulfanyl)butanal
SMILESCCOS(CCCC=O)(OCC)OCC
InChIInChI=1S/C10H22O4S/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3
InChIKeyDMUAUIMQUSNIAO-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.62
Rot. Bonds10

About 4-(triethoxy-λ4-sulfanyl)butanal

4-(triethoxy-λ4-sulfanyl)butanal (PubChem CID 140686899) has the molecular formula C10H22O4S and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-(triethoxy-λ4-sulfanyl)butanal.

Molecular Properties

Compound Name4-(triethoxy-λ4-sulfanyl)butanal
PubChem CID140686899
Molecular FormulaC10H22O4S
Molecular Weight238.35 g/mol
Exact Mass238.12
IUPAC Name4-(triethoxy-λ4-sulfanyl)butanal
SMILESCCOS(CCCC=O)(OCC)OCC
InChIInChI=1S/C10H22O4S/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3
InChIKeyDMUAUIMQUSNIAO-UHFFFAOYSA-N
XLogP2.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ruthenium;tridecanal
CID 175429355
6-ethylsulfonylhexanal
CID 65097360
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916
butanal;pentanedial
CID 87991120
3,4-dimethyl-1-[3-(triethoxy-λ4-sulfanyl)propyl]pyrrole-2,5-dione
CID 176946230
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
4-diethoxyalumanylbutanal
CID 87997439
4-methylperoxybutanal
CID 175414440
pentanal;silver;vanadium
CID 87225713
hexanal;titanium
CID 87066655
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of 4-(triethoxy-λ4-sulfanyl)butanal?
The IUPAC name of 4-(triethoxy-λ4-sulfanyl)butanal (CID 140686899) is 4-(triethoxy-λ4-sulfanyl)butanal.
What is the SMILES notation for 4-(triethoxy-λ4-sulfanyl)butanal?
The canonical SMILES for 4-(triethoxy-λ4-sulfanyl)butanal is CCOS(CCCC=O)(OCC)OCC.
What is the InChIKey of 4-(triethoxy-λ4-sulfanyl)butanal?
The InChIKey is DMUAUIMQUSNIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h9H,4-8,10H2,1-3H3.
What are the key properties of 4-(triethoxy-λ4-sulfanyl)butanal?
4-(triethoxy-λ4-sulfanyl)butanal has a molecular weight of 238.35 g/mol, XLogP of 2.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triethoxy-λ4-sulfanyl)butanal is sourced from PubChem (CID 140686899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).