3-(5-sulfanylpentoxy)propanal

C8H16O2S — CID 177265933

IUPAC3-(5-sulfanylpentoxy)propanal
SMILESO=CCCOCCCCCS
InChIInChI=1S/C8H16O2S/c9-5-4-7-10-6-2-1-3-8-11/h5,11H,1-4,6-8H2
InChIKeySKCFRBZEOYJSDM-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.69
Rot. Bonds8

About 3-(5-sulfanylpentoxy)propanal

3-(5-sulfanylpentoxy)propanal (PubChem CID 177265933) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(5-sulfanylpentoxy)propanal.

Molecular Properties

Compound Name3-(5-sulfanylpentoxy)propanal
PubChem CID177265933
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name3-(5-sulfanylpentoxy)propanal
SMILESO=CCCOCCCCCS
InChIInChI=1S/C8H16O2S/c9-5-4-7-10-6-2-1-3-8-11/h5,11H,1-4,6-8H2
InChIKeySKCFRBZEOYJSDM-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 142541939
16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645
3-heptoxypropanal
CID 59708059
pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 144761105
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
3-(3-silylpropoxy)propanal
CID 174928401
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
2-(6-sulfanylhexoxy)ethanol
CID 88540112
11-(2-prop-2-enoxyethoxy)undecane-1-thiol
CID 59422673
9-(2-oxoethoxy)nonanal
CID 156808348

Frequently Asked Questions

What is the IUPAC name of 3-(5-sulfanylpentoxy)propanal?
The IUPAC name of 3-(5-sulfanylpentoxy)propanal (CID 177265933) is 3-(5-sulfanylpentoxy)propanal.
What is the SMILES notation for 3-(5-sulfanylpentoxy)propanal?
The canonical SMILES for 3-(5-sulfanylpentoxy)propanal is O=CCCOCCCCCS.
What is the InChIKey of 3-(5-sulfanylpentoxy)propanal?
The InChIKey is SKCFRBZEOYJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c9-5-4-7-10-6-2-1-3-8-11/h5,11H,1-4,6-8H2.
What are the key properties of 3-(5-sulfanylpentoxy)propanal?
3-(5-sulfanylpentoxy)propanal has a molecular weight of 176.28 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-sulfanylpentoxy)propanal is sourced from PubChem (CID 177265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).