3-but-3-en-2-yloxythiolane

C8H14OS — CID 21410044

IUPAC3-but-3-en-2-yloxythiolane
SMILESC=CC(C)OC1CCSC1
InChIInChI=1S/C8H14OS/c1-3-7(2)9-8-4-5-10-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyCTEQMKFTAAVIGF-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.08
Rot. Bonds3

About 3-but-3-en-2-yloxythiolane

3-but-3-en-2-yloxythiolane (PubChem CID 21410044) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-but-3-en-2-yloxythiolane.

Molecular Properties

Compound Name3-but-3-en-2-yloxythiolane
PubChem CID21410044
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-but-3-en-2-yloxythiolane
SMILESC=CC(C)OC1CCSC1
InChIInChI=1S/C8H14OS/c1-3-7(2)9-8-4-5-10-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyCTEQMKFTAAVIGF-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Oxathiolane, 2,5-dimethyl-4-methylene-
CID 12286803
3-But-3-en-2-yloxythiolane 1,1-dioxide
CID 70631354
(2S,5S)-2-butylsulfanyl-5-ethenyl-2-methyl-1,3-oxaselenolane
CID 134923148
3-Prop-2-enoxythiolane
CID 20311166
3-(2-Methylprop-2-enoxy)thiolane
CID 21410043
2-Ethenyl-1,4-oxathiane
CID 67652907
5-Methyl-2-prop-2-enyl-1,3-oxathiolane
CID 68129600
3-Methoxy-2-methyl-2,3-dihydrothiophene
CID 69930943
2-Methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane
CID 70231192
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
4-Ethylsulfanyl-3-(1-ethylsulfanylbut-3-en-2-yloxy)but-1-ene
CID 87255384
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxythiolane?
The IUPAC name of 3-but-3-en-2-yloxythiolane (CID 21410044) is 3-but-3-en-2-yloxythiolane.
What is the SMILES notation for 3-but-3-en-2-yloxythiolane?
The canonical SMILES for 3-but-3-en-2-yloxythiolane is C=CC(C)OC1CCSC1.
What is the InChIKey of 3-but-3-en-2-yloxythiolane?
The InChIKey is CTEQMKFTAAVIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-7(2)9-8-4-5-10-6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-but-3-en-2-yloxythiolane?
3-but-3-en-2-yloxythiolane has a molecular weight of 158.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxythiolane is sourced from PubChem (CID 21410044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).