4-but-3-en-2-ylsulfanyloxane

C9H16OS — CID 130667626

IUPAC4-but-3-en-2-ylsulfanyloxane
SMILESC=CC(C)SC1CCOCC1
InChIInChI=1S/C9H16OS/c1-3-8(2)11-9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBFQUHJFRAXWBIE-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.47
Rot. Bonds3

About 4-but-3-en-2-ylsulfanyloxane

4-but-3-en-2-ylsulfanyloxane (PubChem CID 130667626) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 4-but-3-en-2-ylsulfanyloxane.

Molecular Properties

Compound Name4-but-3-en-2-ylsulfanyloxane
PubChem CID130667626
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name4-but-3-en-2-ylsulfanyloxane
SMILESC=CC(C)SC1CCOCC1
InChIInChI=1S/C9H16OS/c1-3-8(2)11-9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3
InChIKeyBFQUHJFRAXWBIE-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-but-3-en-2-ylsulfanyloxane 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

2-(Pent-2-en-1-yl)-4-propyl-1,3-oxathiane
CID 78122748
5-Butylsulfanyl-5-methoxypent-1-ene
CID 15262048
2-Pentenyl-4-propyl-1,3-oxathiane, (2Z)-
CID 71587838
Methylidene-(oxan-2-yl)-prop-2-enyl-lambda4-sulfane
CID 57081654
2-Pent-4-en-2-ylsulfonyloxane
CID 67262074
2-But-3-en-2-ylsulfonyloxane
CID 67543351
2-(2-Ethoxyethyl)-2,3-dihydrothiophene
CID 67866147
2-(4-Methylhex-5-enylsulfanyl)oxane
CID 68830513
2-(2-Propoxyethyl)-2,3-dihydrothiophene
CID 70647710
2-(Pentoxymethyl)-2,3-dihydrothiophene
CID 91517635
But-3-enyl-(oxolan-2-yl)-propylsulfanium
CID 150118292
6-(2-Methoxyethylsulfanyl)hex-1-ene
CID 151921947

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-ylsulfanyloxane?
The IUPAC name of 4-but-3-en-2-ylsulfanyloxane (CID 130667626) is 4-but-3-en-2-ylsulfanyloxane.
What is the SMILES notation for 4-but-3-en-2-ylsulfanyloxane?
The canonical SMILES for 4-but-3-en-2-ylsulfanyloxane is C=CC(C)SC1CCOCC1.
What is the InChIKey of 4-but-3-en-2-ylsulfanyloxane?
The InChIKey is BFQUHJFRAXWBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-8(2)11-9-4-6-10-7-5-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 4-but-3-en-2-ylsulfanyloxane?
4-but-3-en-2-ylsulfanyloxane has a molecular weight of 172.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-ylsulfanyloxane is sourced from PubChem (CID 130667626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).