(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran

C11H14OS — CID 134962287

IUPAC(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)C[C@H](c2ccsc2)OC1
InChIInChI=1S/C11H14OS/c1-8-5-11(12-6-9(8)2)10-3-4-13-7-10/h3-4,7,11H,5-6H2,1-2H3/t11-/m1/s1
InChIKeyWGTDQWVHXDUAIS-LLVKDONJSA-N
MW194.30 g/mol
LogP3.55
Rot. Bonds1

About (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran

(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran (PubChem CID 134962287) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran
PubChem CID134962287
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran
SMILESCC1=C(C)C[C@H](c2ccsc2)OC1
InChIInChI=1S/C11H14OS/c1-8-5-11(12-6-9(8)2)10-3-4-13-7-10/h3-4,7,11H,5-6H2,1-2H3/t11-/m1/s1
InChIKeyWGTDQWVHXDUAIS-LLVKDONJSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.55
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 (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran (CID 134962287) is (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran is CC1=C(C)C[C@H](c2ccsc2)OC1.
What is the InChIKey of (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran?
The InChIKey is WGTDQWVHXDUAIS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-5-11(12-6-9(8)2)10-3-4-13-7-10/h3-4,7,11H,5-6H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran?
(2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran has a molecular weight of 194.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,5-dimethyl-2-thiophen-3-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).