4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane

C11H20OS — CID 118437142

IUPAC4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane
SMILESCOC1CC(C)(CCC=C(C)C)S1
InChIInChI=1S/C11H20OS/c1-9(2)6-5-7-11(3)8-10(12-4)13-11/h6,10H,5,7-8H2,1-4H3
InChIKeySEWFXRGXRGMEGL-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds4

About 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane

4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane (PubChem CID 118437142) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane
PubChem CID118437142
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane
SMILESCOC1CC(C)(CCC=C(C)C)S1
InChIInChI=1S/C11H20OS/c1-9(2)6-5-7-11(3)8-10(12-4)13-11/h6,10H,5,7-8H2,1-4H3
InChIKeySEWFXRGXRGMEGL-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
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 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane?
The IUPAC name of 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane (CID 118437142) is 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane.
What is the SMILES notation for 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane?
The canonical SMILES for 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane is COC1CC(C)(CCC=C(C)C)S1.
What is the InChIKey of 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane?
The InChIKey is SEWFXRGXRGMEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-9(2)6-5-7-11(3)8-10(12-4)13-11/h6,10H,5,7-8H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane?
4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-(4-methylpent-3-enyl)thietane is sourced from PubChem (CID 118437142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).