2-ethenyl-2,6-dimethyl-1,3-oxathiane

C8H14OS — CID 168897244

IUPAC2-ethenyl-2,6-dimethyl-1,3-oxathiane
SMILESC=CC1(C)OC(C)CCS1
InChIInChI=1S/C8H14OS/c1-4-8(3)9-7(2)5-6-10-8/h4,7H,1,5-6H2,2-3H3
InChIKeyOBIOZZCRAWFTSD-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds1

About 2-ethenyl-2,6-dimethyl-1,3-oxathiane

2-ethenyl-2,6-dimethyl-1,3-oxathiane (PubChem CID 168897244) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethyl-1,3-oxathiane.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethyl-1,3-oxathiane
PubChem CID168897244
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-ethenyl-2,6-dimethyl-1,3-oxathiane
SMILESC=CC1(C)OC(C)CCS1
InChIInChI=1S/C8H14OS/c1-4-8(3)9-7(2)5-6-10-8/h4,7H,1,5-6H2,2-3H3
InChIKeyOBIOZZCRAWFTSD-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
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

4-methoxy-3,4-dihydro-2H-thiopyran
CID 20213450
3-But-3-en-2-yloxythiolane
CID 21410044
(4S)-4-methoxy-3,4-dihydro-2H-thiopyran
CID 22846029
2-Ethenyl-1,4-oxathiane
CID 67652907
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
2-Ethylsulfanylethoxyethene
CID 87255384
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821
CID 173813169
CID 173813169
(Z)-3-ethoxy-1-ethylsulfanylbut-1-ene
CID 142987481
2,6-Bis(ethenyl)-3-methyl-2,3-dihydro-1,4-oxathiine
CID 145272994

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,6-dimethyl-1,3-oxathiane?
The IUPAC name of 2-ethenyl-2,6-dimethyl-1,3-oxathiane (CID 168897244) is 2-ethenyl-2,6-dimethyl-1,3-oxathiane.
What is the SMILES notation for 2-ethenyl-2,6-dimethyl-1,3-oxathiane?
The canonical SMILES for 2-ethenyl-2,6-dimethyl-1,3-oxathiane is C=CC1(C)OC(C)CCS1.
What is the InChIKey of 2-ethenyl-2,6-dimethyl-1,3-oxathiane?
The InChIKey is OBIOZZCRAWFTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-8(3)9-7(2)5-6-10-8/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenyl-2,6-dimethyl-1,3-oxathiane?
2-ethenyl-2,6-dimethyl-1,3-oxathiane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethyl-1,3-oxathiane is sourced from PubChem (CID 168897244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).