but-3-enyl-(oxolan-2-yl)-propylsulfanium

C11H21OS+ — CID 150118292

IUPACbut-3-enyl-(oxolan-2-yl)-propylsulfanium
SMILESC=CCC[S+](CCC)C1CCCO1
InChIInChI=1S/C11H21OS/c1-3-5-10-13(9-4-2)11-7-6-8-12-11/h3,11H,1,4-10H2,2H3/q+1
InChIKeyDYSDVNDBRQZSRW-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.73
Rot. Bonds6

About but-3-enyl-(oxolan-2-yl)-propylsulfanium

but-3-enyl-(oxolan-2-yl)-propylsulfanium (PubChem CID 150118292) has the molecular formula C11H21OS+ and a molecular weight of 201.35 g/mol. Its IUPAC name is but-3-enyl-(oxolan-2-yl)-propylsulfanium.

Molecular Properties

Compound Namebut-3-enyl-(oxolan-2-yl)-propylsulfanium
PubChem CID150118292
Molecular FormulaC11H21OS+
Molecular Weight201.35 g/mol
Exact Mass201.13
IUPAC Namebut-3-enyl-(oxolan-2-yl)-propylsulfanium
SMILESC=CCC[S+](CCC)C1CCCO1
InChIInChI=1S/C11H21OS/c1-3-5-10-13(9-4-2)11-7-6-8-12-11/h3,11H,1,4-10H2,2H3/q+1
InChIKeyDYSDVNDBRQZSRW-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze but-3-enyl-(oxolan-2-yl)-propylsulfanium with MolForge

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

Launch Full Analysis

Related Compounds

5-Butylsulfanyl-5-methoxypent-1-ene
CID 15262048
2-(3-Butenyl)-2-methyl-1,3-oxathiolane
CID 15938034
3-Ethylsulfanyl-4-(2-ethylsulfanylbut-3-enoxy)but-1-ene
CID 57235135
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
5-Methyl-2,2-bis(prop-2-enyl)-1,3-oxathiolane
CID 68128655
5-Methyl-2-prop-2-enyl-1,3-oxathiolane
CID 68129600
4-Ethenyl-2-methyl-1,3-oxathiolane
CID 70230924
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
4-Ethoxy-3-(1-ethoxybut-3-en-2-ylsulfanyl)but-1-ene
CID 87899820
2-Butylsulfanyl-5-methylideneoxolane
CID 89381102
2-(Butoxymethyl)-2,3-dihydrothiophene
CID 90694438
2-(Propoxymethyl)-2,3-dihydrothiophene
CID 90980385

Frequently Asked Questions

What is the IUPAC name of but-3-enyl-(oxolan-2-yl)-propylsulfanium?
The IUPAC name of but-3-enyl-(oxolan-2-yl)-propylsulfanium (CID 150118292) is but-3-enyl-(oxolan-2-yl)-propylsulfanium.
What is the SMILES notation for but-3-enyl-(oxolan-2-yl)-propylsulfanium?
The canonical SMILES for but-3-enyl-(oxolan-2-yl)-propylsulfanium is C=CCC[S+](CCC)C1CCCO1.
What is the InChIKey of but-3-enyl-(oxolan-2-yl)-propylsulfanium?
The InChIKey is DYSDVNDBRQZSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21OS/c1-3-5-10-13(9-4-2)11-7-6-8-12-11/h3,11H,1,4-10H2,2H3/q+1.
What are the key properties of but-3-enyl-(oxolan-2-yl)-propylsulfanium?
but-3-enyl-(oxolan-2-yl)-propylsulfanium has a molecular weight of 201.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-(oxolan-2-yl)-propylsulfanium is sourced from PubChem (CID 150118292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).