3-methoxy-2-methyl-4-methylidenethiane

C8H14OS — CID 88988799

IUPAC3-methoxy-2-methyl-4-methylidenethiane
SMILESC=C1CCSC(C)C1OC
InChIInChI=1S/C8H14OS/c1-6-4-5-10-7(2)8(6)9-3/h7-8H,1,4-5H2,2-3H3
InChIKeyWYPKOKQMEQLOIF-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.08
Rot. Bonds1

About 3-methoxy-2-methyl-4-methylidenethiane

3-methoxy-2-methyl-4-methylidenethiane (PubChem CID 88988799) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-methoxy-2-methyl-4-methylidenethiane.

Molecular Properties

Compound Name3-methoxy-2-methyl-4-methylidenethiane
PubChem CID88988799
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-methoxy-2-methyl-4-methylidenethiane
SMILESC=C1CCSC(C)C1OC
InChIInChI=1S/C8H14OS/c1-6-4-5-10-7(2)8(6)9-3/h7-8H,1,4-5H2,2-3H3
InChIKeyWYPKOKQMEQLOIF-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-4-methylidenethiane?
The IUPAC name of 3-methoxy-2-methyl-4-methylidenethiane (CID 88988799) is 3-methoxy-2-methyl-4-methylidenethiane.
What is the SMILES notation for 3-methoxy-2-methyl-4-methylidenethiane?
The canonical SMILES for 3-methoxy-2-methyl-4-methylidenethiane is C=C1CCSC(C)C1OC.
What is the InChIKey of 3-methoxy-2-methyl-4-methylidenethiane?
The InChIKey is WYPKOKQMEQLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-6-4-5-10-7(2)8(6)9-3/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 3-methoxy-2-methyl-4-methylidenethiane?
3-methoxy-2-methyl-4-methylidenethiane has a molecular weight of 158.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-4-methylidenethiane is sourced from PubChem (CID 88988799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).