5-(1,3-dithiolan-2-ylidene)pentan-1-ol

C8H14OS2 — CID 102474164

IUPAC5-(1,3-dithiolan-2-ylidene)pentan-1-ol
SMILESOCCCCC=C1SCCS1
InChIInChI=1S/C8H14OS2/c9-5-3-1-2-4-8-10-6-7-11-8/h4,9H,1-3,5-7H2
InChIKeySAGOSWVYYZBFHX-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.47
Rot. Bonds4

About 5-(1,3-dithiolan-2-ylidene)pentan-1-ol

5-(1,3-dithiolan-2-ylidene)pentan-1-ol (PubChem CID 102474164) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-(1,3-dithiolan-2-ylidene)pentan-1-ol.

Molecular Properties

Compound Name5-(1,3-dithiolan-2-ylidene)pentan-1-ol
PubChem CID102474164
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name5-(1,3-dithiolan-2-ylidene)pentan-1-ol
SMILESOCCCCC=C1SCCS1
InChIInChI=1S/C8H14OS2/c9-5-3-1-2-4-8-10-6-7-11-8/h4,9H,1-3,5-7H2
InChIKeySAGOSWVYYZBFHX-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.47
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

5-(1,3-Dithian-2-ylidene)pentan-1-ol
CID 101142389
6-(1,3-Dithiolan-2-ylidene)hexan-1-ol
CID 59693050
4-(1,3-Dithiolan-2-ylidene)butan-1-ol
CID 102474163
3-(1,3-Dithiolan-2-ylidene)propan-1-ol
CID 102474169

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dithiolan-2-ylidene)pentan-1-ol?
The IUPAC name of 5-(1,3-dithiolan-2-ylidene)pentan-1-ol (CID 102474164) is 5-(1,3-dithiolan-2-ylidene)pentan-1-ol.
What is the SMILES notation for 5-(1,3-dithiolan-2-ylidene)pentan-1-ol?
The canonical SMILES for 5-(1,3-dithiolan-2-ylidene)pentan-1-ol is OCCCCC=C1SCCS1.
What is the InChIKey of 5-(1,3-dithiolan-2-ylidene)pentan-1-ol?
The InChIKey is SAGOSWVYYZBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c9-5-3-1-2-4-8-10-6-7-11-8/h4,9H,1-3,5-7H2.
What are the key properties of 5-(1,3-dithiolan-2-ylidene)pentan-1-ol?
5-(1,3-dithiolan-2-ylidene)pentan-1-ol has a molecular weight of 190.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dithiolan-2-ylidene)pentan-1-ol is sourced from PubChem (CID 102474164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).